SCHEMBL3974650

SCHEMBL3974650

CS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)NC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.58
CCNE1 P24864 4/20 0.58
CCNE2 O96020 1/20 0.52
CDK1 P06493 1/20 0.51
MARK3 P27448 4/20 0.47
MARK4 Q96L34 2/20 0.46
KDR P35968 1/20 0.46
PLK1 P53350 5/20 0.45
PLK3 Q9H4B4 5/20 0.45
PLK2 Q9NYY3 5/20 0.45
SYK P43405 2/20 0.44
PIK3CA P42336 1/20 0.44
PRKDC P78527 1/20 0.44
RPS6KA6 Q9UK32 2/20 0.44
STK3 Q13188 1/20 0.43

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
SCHEMBL3971292 0.85 MARK3 (0.49) CDK2CCNE1CDK1MARK3MARK4
SCHEMBL3970756 0.85 KDR (0.50) CDK2CCNE1MARK3MARK4KDR
SCHEMBL25046176 0.83 CDK2 (0.54) CDK2CCNE1CCNE2CDK1MARK3
SCHEMBL3971047 0.82 RPS6KA6 (0.64) CDK2CCNE1CCNE2CDK1MARK3
SCHEMBL3972914 0.82 CDK2 (0.47) CDK2CCNE1CCNE2CDK1MARK3
SCHEMBL3972872 0.82 CDK4 (0.56) CDK2CCNE1CCNE2CDK1KDR
SCHEMBL3977665 0.81 CDK4 (0.57) CDK2CCNE1CCNE2CDK1MARK3
SCHEMBL3970456 0.80 RPS6KA6 (0.49) CDK2CCNE1MARK3MARK4PLK1
SCHEMBL3971271 0.80 RPS6KA6 (0.63) CDK2CCNE1CCNE2CDK1RPS6KA6
SCHEMBL22165226 0.80 CDK2 (0.61) CDK2CCNE1CCNE2CDK1MARK3

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-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US claimed
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.