SCHEMBL622753

SCHEMBL622753

COc1cccc(C[NH])c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
ALOX5 P09917 1/20 0.59
PTGS2 P35354 1/20 0.59
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 3/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
LMNA P02545 2/20 0.57
ALOX12 P18054 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CALM1 P0DP23 1/20 0.56
GAA P10253 7/20 0.51
GFER P55789 1/20 0.51
TLR2 O60603 1/20 0.47
ERN1 O75460 1/20 0.47
TLR1 Q15399 1/20 0.47

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
Hydrochloric Acid SCHEMBL27792889 0.82 IDO1 (0.69) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL828720 0.82 IDO1 (0.62) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL786628 0.82 IDO1 (0.44) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL9576160 0.82 ALOX5 (0.66) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL29500198 0.80 IDO1 (0.66) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL622754 0.80 IDO1 (0.66) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL22284783 0.80 IDO1 (0.61) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL11725667 0.80 IDO1 (0.61) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL2477378 0.79 TLR2 (0.56) IDO1ALOX5PTGS2MAPTALDH1A1
Hydrochloric Acid SCHEMBL16037890 0.79 IDO1 (0.65) IDO1ALOX5PTGS2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3233861-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) 2017-10-25 EP disclosed
EP-1575973-B1 SUBSTITUTION DERIVATIVES OF N SP 6 SP -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 AV CR V V I (CZ) 2017-08-23 EP disclosed
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP 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
WO-2016095880-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) 2016-06-23 WO 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-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 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
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed
US-4196291-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4141978-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-02-27 US disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 US 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 (6 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-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 IDO1 222/4885ALOX5 1725/4885PTGS2 3596/4885
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 IDO1 2607/4885ALOX5 1653/4885PTGS2 1998/4885
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 IDO1 233/4885ALOX5 2713/4885PTGS2 2560/4885
US-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS PNP, UNG, NUDT1 IDO1 999/4885ALOX5 439/4885PTGS2 300/4885
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications PNP, UNG, NUDT1 IDO1 999/4885ALOX5 439/4885PTGS2 300/4885
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 IDO1 165/4885ALOX5 742/4885PTGS2 1489/4885

“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.