SCHEMBL3971813

SCHEMBL3971813

CC(C)CC(=O)Nc1ncc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.54
CCND1 P24385 4/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CCND2 P30279 2/20 0.48
CCND3 P30281 2/20 0.48
STAT6 P42226 2/20 0.44
ALDH1A1 P00352 1/20 0.43
SYK P43405 10/20 0.43
PTK2 Q05397 1/20 0.42
NAMPT P43490 1/20 0.42
IKBKB O14920 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
SCHEMBL3970405 0.89 SYK (0.50) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL3973604 0.83 SYK (0.58) CDK4CCND1CCNE1CDK2SYK
SCHEMBL3967522 0.77 IKBKB (0.46) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL3970439 0.76 SYK (0.50) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL6088192 0.74 CDK4 (0.77) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL3970476 0.71 CDK4 (0.57) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL6086963 0.70 CDK4 (1.00) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL3971092 0.70 CDK4 (0.52) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL6087308 0.70 CDK2 (0.54) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL6088805 0.70 CDK4 (0.51) CDK4CCND1CDK1CCNB1CCNE1

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 CDK4 4/4885CCND1 13/4885CDK1 11/4885

“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.