SCHEMBL4239474

SCHEMBL4239474

CC(C)NC(=O)Nc1ncc2cnc(Nc3ccccc3)nc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.52
CDK4 P11802 6/20 0.46
CCND1 P24385 6/20 0.46
CDK2 P24941 3/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNE1 P24864 2/20 0.46
CCND2 P30279 4/20 0.45
CCND3 P30281 4/20 0.45
BRD4 O60885 1/20 0.45
MARK3 P27448 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
EGFR P00533 1/20 0.43
ITK Q08881 1/20 0.43
MAP3K5 Q99683 1/20 0.43
KCNH3 Q9ULD8 1/20 0.42
SYK P43405 1/20 0.42
MAPK1 P28482 1/20 0.42
RPS6KA1 Q15418 1/20 0.42

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
SCHEMBL3971186 0.89 BRAF (0.43) CSNK1A1CDK4CCND1CCND2CCND3
SCHEMBL3969880 0.79 CDK4 (0.56) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3971261 0.79 SYK (0.62) CDK4CCND1CDK2CCNE1BRD4
SCHEMBL5312797 0.77 PTK2 (0.41) CSNK1A1CDK4CCND1CDK2CDK1
SCHEMBL3970439 0.75 SYK (0.50) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3974670 0.73 PTK2 (0.49) CDK4CCND1CDK2CCNE1CCND2
SCHEMBL7836537 0.72 CSNK1A1 (0.36) CSNK1A1BRD4MAPK1MAPK8
Benzene SCHEMBL11580862 0.72 HSD17B10 (0.70) GAA
SCHEMBL2625563 0.72 HSD17B10 (0.70) GAA
SCHEMBL6073991 0.71 FGFR1 (0.44) CSNK1A1CDK4CCND1CDK2CDK1

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-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP 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-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP 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 CSNK1A1 328/4885CDK4 4/4885CCND1 13/4885

“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.