SCHEMBL3970698

SCHEMBL3970698

CS(=O)(=O)c1ccc(Nc2ncc3cnc(=O)n(C4CCCC4)c3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.65
CCNE1 P24864 7/20 0.65
CCNE2 O96020 6/20 0.65
CDK4 P11802 15/20 0.55
CCND1 P24385 15/20 0.55
CCNA2 P20248 10/20 0.55
CCND2 P30279 9/20 0.55
CCND3 P30281 9/20 0.55
CDK1 P06493 6/20 0.55
FGFR1 P11362 6/20 0.55
FGFR2 P21802 6/20 0.55
FGFR4 P22455 6/20 0.55
FGFR3 P22607 6/20 0.55
CDK9 P50750 2/20 0.55
CCNA1 P78396 5/20 0.55
CCNB1 P14635 5/20 0.55
CCNB2 O95067 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
PAK4 O96013 1/20 0.55
PAK1 Q13153 1/20 0.55

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
SCHEMBL3971264 0.83 MAPK9 (0.62) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL3969977 0.83 CDK4 (0.61) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL3967349 0.81 CDK4 (0.80) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL5634391 0.81 CDK2 (0.78) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL3970463 0.81 CDK4 (0.81) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL3974659 0.79 CDK4 (0.81) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL3973205 0.79 CDK4 (0.73) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL3971064 0.79 CDK4 (0.54) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL5330208 0.79 CDK4 (0.56) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL3970301 0.79 CDK4 (0.66) CDK2CCNE1CCNE2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP claimed
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 CDK2 6/4885CCNE1 12/4885CCNE2 47/4885

“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.