SCHEMBL6941325

SCHEMBL6941325

CCCn1cnc2c(NCc3cccc(OC)c3OC)nc(Cl)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 4/20 0.56
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
ADORA3 P0DMS8 3/20 0.49
ADORA2A P29274 1/20 0.49
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
PPARD Q03181 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HDAC1 Q13547 1/20 0.45
NPC1 O15118 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
SCHEMBL7227930 0.88 ADORA3 (0.52) YTHDC1CCNE1CDK2ADORA3ADORA2A
SCHEMBL1444366 0.83 CDK2 (0.68) YTHDC1CCNE1CDK2ADORA3ADORA2A
SCHEMBL786378 0.81 YTHDC1 (0.57) YTHDC1CCNE1CDK2ADORA3ADORA2A
SCHEMBL6944575 0.80 ADORA3 (0.58) CCNE1CDK2ADORA3ADORA2ACDK1
SCHEMBL6945059 0.80 CCNE2 (0.57) YTHDC1CCNE1CDK2ADORA2ACCNE2
Hydrochloric Acid SCHEMBL6945972 0.79 CCNE1 (0.62) CCNE1CDK2CCNE2CDK1
SCHEMBL6944109 0.79 CCNE2 (0.76) YTHDC1CCNE1CDK2ADORA2ACCNE2
SCHEMBL15756806 0.78 CDK1 (0.67) YTHDC1CCNE1CDK2ADORA3ADORA2A
SCHEMBL6817859 0.78 CDK1 (0.74) YTHDC1CCNE1CDK2ADORA2ACCNE2
SCHEMBL786075 0.77 YTHDC1 (0.62) YTHDC1CCNE1CDK2ADORA3ADORA2A

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 YTHDC1 1001/4885CCNE1 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.