SCHEMBL4921034

SCHEMBL4921034

CCCCCCCCOc1ccc(CNc2ncnc3[nH]cnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
PRMT1 Q99873 1/20 0.42
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR2 O95136 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PKM P14618 1/20 0.40
NR5A1 Q13285 1/20 0.40

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
SCHEMBL4921305 1.00 MMP2 (0.44) MMP2MMP3MMP9CCNB2CDK1
SCHEMBL4937104 0.99 CCNB2 (0.43) MMP2MMP3MMP9CCNB2CDK1
SCHEMBL4922889 0.96 CCNB2 (0.45) CCNB2CDK1CCNB1CCNB3PRMT1
SCHEMBL4922847 0.92 CCNB2 (0.45) CCNB2CDK1CCNB1CCNB3PRMT1
SCHEMBL4917761 0.87 MEN1 (0.49) CCNB2CDK1CCNB1CCNB3PRMT1
SCHEMBL4933974 0.87 MEN1 (0.49) CCNB2CDK1CCNB1CCNB3PRMT1
SCHEMBL4921526 0.87 SMN1; SMN2 (0.53) CCNB2CDK1CCNB1CCNB3PRMT1
SCHEMBL4930409 0.85 MEN1 (0.50) CCNB2CDK1CCNB1CCNB3PRMT1
SCHEMBL4921306 0.83 PRMT1 (0.65) PRMT1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4921039 0.83 PRMT1 (0.65) PRMT1SMN1; SMN2LMNANPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −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 Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 EP claimed
WO-2003040144-A2 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 EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 WO claimed
US-8552013-B2 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) 2013-10-08 US 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-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-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −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 Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 EP disclosed
WO-2003040144-A2 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 EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 WO 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 (2 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 MMP2 4143/4885MMP3 4540/4885MMP9 2679/4885
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 MMP2 3944/4885MMP3 3908/4885MMP9 1846/4885

“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.