SCHEMBL5197484

SCHEMBL5197484

COc1ccc(CNCCNc2nc(Cl)nc3c2ncn3C2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
CTSL P07711 3/20 0.63
CCNE1 P24864 4/20 0.60
CDK2 P24941 4/20 0.60
CCNE2 O96020 3/20 0.60
FLT3 P36888 1/20 0.54
CDK1 P06493 4/20 0.49
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47

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
SCHEMBL6945642 0.91 TDP1 (0.80) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL6945139 0.90 TDP1 (0.65) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5193423 0.89 CTSL (0.63) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5196990 0.88 TDP1 (0.52) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5196475 0.88 CTSL (0.54) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5626405 0.88 YTHDC1 (0.52) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5196991 0.88 CDK1 (0.64) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5196946 0.85 TDP1 (0.49) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5193654 0.85 CTSL (0.52) TDP1CTSLCCNE1CDK2CCNE2
SCHEMBL5195312 0.85 CTSL (0.61) TDP1CTSLCCNE1CDK2CCNE2

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
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 EP disclosed
US-7208598-B2 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA (FR) 2007-04-24 US disclosed
US-7122669-B1 Purine derivatives, preparation method and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2006-10-17 US disclosed
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2005-08-25 US disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 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-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them CDK6, CDK1, CDK2 TDP1 1310/4885CTSL 2100/4885CCNE1 4/4885

“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.