SCHEMBL6946322

SCHEMBL6946322

CCN(CC)CCNc1nc(Cl)nc2c1ncn2C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.53
SRC P12931 1/20 0.50
ADORA3 P0DMS8 4/20 0.47
ADORA1 P30542 3/20 0.47
YTHDC1 Q96MU7 2/20 0.47
CDK1 P06493 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
FLT3 P36888 1/20 0.44
ADORA2A P29274 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL6945264 0.94 CTSL (0.56) CTSLSRCADORA3ADORA1YTHDC1
SCHEMBL6817775 0.89 CTSL (0.59) CTSLSRCADORA3ADORA1YTHDC1
SCHEMBL6820593 0.86 CTSL (0.66) CTSLSRCADORA3ADORA1YTHDC1
SCHEMBL6818080 0.86 ADORA3 (0.61) CTSLADORA3ADORA1YTHDC1CDK1
SCHEMBL6817879 0.85 CTSL (0.70) CTSLADORA3ADORA1YTHDC1CDK1
SCHEMBL6817663 0.84 CTSL (0.72) CTSLADORA3ADORA1YTHDC1CDK1
SCHEMBL8204168 0.84 CTSL (0.72) CTSLADORA3ADORA1YTHDC1CDK1
SCHEMBL8110131 0.84 CTSL (0.72) CTSLADORA3ADORA1YTHDC1CDK1
SCHEMBL6947217 0.84 CTSL (0.72) CTSLADORA3ADORA1YTHDC1CDK1
SCHEMBL6820572 0.84 CTSL (0.72) CTSLADORA3ADORA1YTHDC1CDK1

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 CTSL 2469/4885SRC 3712/4885ADORA3 547/4885

“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.