SCHEMBL620909

SCHEMBL620909

COc1ccc(C[NH])cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
ALOX15 P16050 1/20 0.62
ALOX12 P18054 1/20 0.62
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
APEX1 P27695 1/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 1/20 0.61
TUBB4A P04350 5/20 0.59
TUBB P07437 5/20 0.59
TUBA3C P0DPH7 5/20 0.59
TUBA1B P68363 5/20 0.59
TUBA4A P68366 5/20 0.59
TUBB4B P68371 5/20 0.59
TUBB3 Q13509 5/20 0.59
TUBB2A Q13885 5/20 0.59
TUBB8 Q3ZCM7 5/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2004305 0.84 ALDH1A1 (0.66) CYP3A4TSHRNFKB1ALOX15ALOX12
SCHEMBL69858 0.83 TUBB4A (0.79) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL109505 0.82 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL27741309 0.82 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL29405348 0.82 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL347472 0.82 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL29398303 0.82 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL638384 0.81 CA2 (0.68) CYP1A2CYP3A4CYP19A1
SCHEMBL3390749 0.81 GAA (0.62) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL346416 0.80 TSHR (0.73) CYP1A2CYP3A4TSHRNFKB1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US claimed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP claimed
EP-3229771-B1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIV PALACKEHO (CZ) 2024-04-03 EP disclosed
EP-3229772-B1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIV PALACKEHO (CZ) 2020-04-29 EP disclosed
EP-3233861-B1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL) PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-04-10 EP disclosed
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-10-09 US disclosed
US-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2017-12-21 US disclosed
EP-2755977-B1 6,8-DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE Univerzita Palackého v Olomouci (CZ) 2016-11-02 EP disclosed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 US disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 US disclosed
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2007-07-19 US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 US disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 CYP1A2 2345/4885CYP3A4 3751/4885TSHR 1108/4885
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ADAR, ADORA2A, AMPD2 CYP1A2 2872/4885CYP3A4 3917/4885TSHR 1506/4885
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 CYP1A2 1813/4885CYP3A4 1753/4885TSHR 498/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 CYP1A2 2630/4885CYP3A4 4114/4885TSHR 1625/4885
US-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS PNP, UNG, NUDT1 CYP1A2 1909/4885CYP3A4 3104/4885TSHR 4432/4885
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications PNP, UNG, NUDT1 CYP1A2 1909/4885CYP3A4 3104/4885TSHR 4432/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 CYP1A2 1813/4885CYP3A4 1753/4885TSHR 498/4885
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO CYP1A2 184/4885CYP3A4 102/4885TSHR 893/4885
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 CYP1A2 2268/4885CYP3A4 2872/4885TSHR 2431/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.