SCHEMBL6947217

SCHEMBL6947217

CCCCCCCCCCCCNc1nc(Cl)nc2c1ncn2C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.72
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
ADORA3 P0DMS8 5/20 0.49
ADORA1 P30542 4/20 0.49
YTHDC1 Q96MU7 1/20 0.47
CDK1 P06493 3/20 0.47
CDK2 P24941 2/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FLT3 P36888 2/20 0.45
PDGFRA P16234 1/20 0.45
ADORA2A P29274 1/20 0.44

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
SCHEMBL8204168 1.00 CTSL (0.72) CTSLHDAC1HDAC2ADORA3ADORA1
SCHEMBL6817663 1.00 CTSL (0.72) CTSLHDAC1HDAC2ADORA3ADORA1
SCHEMBL8110131 1.00 CTSL (0.72) CTSLHDAC1HDAC2ADORA3ADORA1
SCHEMBL6820572 1.00 CTSL (0.72) CTSLHDAC1HDAC2ADORA3ADORA1
SCHEMBL6817879 0.99 CTSL (0.70) CTSLHDAC1HDAC2ADORA3ADORA1
SCHEMBL6820593 0.95 CTSL (0.66) CTSLHDAC1HDAC2ADORA3ADORA1
SCHEMBL6817775 0.91 CTSL (0.59) CTSLADORA3ADORA1YTHDC1CDK1
SCHEMBL6817790 0.89 CTSL (0.58) CTSLADORA3ADORA1FLT3PDGFRA
SCHEMBL6821513 0.89 CTSL (0.58) CTSLADORA3ADORA1CDK1CDK2
SCHEMBL6824196 0.88 CTSL (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 CN disclosed
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 2469/4885HDAC1 1698/4885HDAC2 1602/4885

“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.