SCHEMBL4487915

SCHEMBL4487915

COc1ccc(CNc2nc(Cl)nc3c2ncn3C2CCCC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
CTSL P07711 4/20 0.58
CCNE1 P24864 4/20 0.54
CDK2 P24941 4/20 0.54
CCNE2 O96020 2/20 0.54
CDK1 P06493 4/20 0.53
ADORA2A P29274 4/20 0.52
ADORA3 P0DMS8 4/20 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
SCHEMBL8108586 0.89 TDP1 (0.57) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6947625 0.89 TDP1 (0.57) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6945642 0.87 TDP1 (0.80) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6945307 0.85 TDP1 (0.64) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6820811 0.85 CTSL (0.60) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6942994 0.84 ADORA3 (0.56) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6817715 0.84 CTSL (0.76) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6944125 0.83 ADORA3 (0.68) TDP1CTSLCCNE1CDK2CDK1
SCHEMBL6946892 0.83 ADORA2A (0.61) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6818091 0.82 CTSL (0.75) CTSLCCNE1CDK2CCNE2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
EP-1399446-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2005-08-03 EP disclosed
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-01-13 US disclosed
EP-1399446-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2004-03-24 EP disclosed
WO-2003002565-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2003-01-09 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-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 TDP1 389/4885CTSL 3701/4885CCNE1 390/4885

“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.