SCHEMBL6945642

SCHEMBL6945642

COc1ccc(CNc2nc(Cl)nc3c2ncn3C2CCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.80
CTSL P07711 3/20 0.74
CCNE1 P24864 3/20 0.69
CDK2 P24941 3/20 0.69
CCNE2 O96020 2/20 0.69
FLT3 P36888 1/20 0.60
CDK1 P06493 3/20 0.59
ADORA3 P0DMS8 2/20 0.52
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52

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
SCHEMBL5197484 0.91 TDP1 (0.67) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6945139 0.90 TDP1 (0.65) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6945307 0.90 TDP1 (0.64) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL29356768 0.89 TDP1 (1.00) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6817715 0.88 CTSL (0.76) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL4487915 0.87 TDP1 (0.61) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5763160 0.87 YTHDC1 (0.64) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL29659669 0.87 YTHDC1 (0.64) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL15940797 0.86 CTSL (0.64) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6820578 0.86 CTSL (0.64) TDP1CTSLCCNE1CDK2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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 (1 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 TDP1 210/4885CTSL 2469/4885CCNE1 89/4885

“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.