SCHEMBL6944109

SCHEMBL6944109

CCCn1cnc2c(NCc3ccc(OC)cc3)nc(Cl)nc21

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 6/20 0.76
CCNE1 P24864 6/20 0.76
CDK2 P24941 6/20 0.76
CTSL P07711 5/20 0.67
CDK1 P06493 2/20 0.56
HDAC1 Q13547 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
TMIGD3 P0DMS9 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
YTHDC1 Q96MU7 1/20 0.51

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
SCHEMBL30747798 0.90 CCNE2 (0.77) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL27249486 0.90 CCNE2 (0.77) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL6152650 0.89 CTSL (0.69) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL6817859 0.86 CDK1 (0.74) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL6945059 0.86 CCNE2 (0.57) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL17802614 0.86 CTSL (0.75) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL17628578 0.85 CDK1 (0.65) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL17639878 0.84 PDE2A (0.58) CCNE2CCNE1CDK2CTSLCDK1
SCHEMBL1443236 0.81 TDP1 (0.80) CCNE2CCNE1CDK2CDK1TDP1
SCHEMBL17815602 0.81 CCNE2 (0.64) CCNE2CCNE1CDK2CTSLHDAC1

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 CCNE2 78/4885CCNE1 89/4885CDK2 3/4885

“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.