SCHEMBL3976966

SCHEMBL3976966

CCN1C(=O)N(c2c(C)c(OC)cc(OC)c2C)Cc2cnc(Nc3ccc(N4CCN(C(=O)CN)CC4)cc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.53
CDK4 P11802 2/20 0.53
CCNB1 P14635 2/20 0.53
CCND1 P24385 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
FGFR4 P22455 7/20 0.49
FGFR1 P11362 5/20 0.49
FGFR2 P21802 5/20 0.49
FGFR3 P22607 5/20 0.49
EGFR P00533 8/20 0.47
CSF1R P07333 7/20 0.47
WEE1 P30291 1/20 0.45
SIK2 Q9H0K1 1/20 0.44
BRD4 O60885 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
SCHEMBL3971306 0.92 FGFR4 (0.53) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL3968636 0.90 EGFR (0.53) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL3971767 0.88 FGFR4 (0.62) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL3968460 0.86 CDK1 (0.45) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL3976088 0.86 FGFR4 (0.53) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL3976274 0.81 FGFR4 (0.48) CDK4CCND1FGFR4FGFR1FGFR2
SCHEMBL3968497 0.79 FGFR4 (0.52) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL13593202 0.78 FGFR4 (0.48) FGFR4FGFR1FGFR2FGFR3BRD4
SCHEMBL3967144 0.78 CDK1 (0.43) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL3977883 0.77 LCK (0.61) CDK4CCND1FGFR4FGFR1FGFR2

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 7 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
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP claimed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO 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 CDK1 11/4885CDK4 4/4885CCNB1 24/4885

“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.