SCHEMBL3971264

SCHEMBL3971264

COc1ccc(Nc2ncc3cnc(=O)n(C4CCCC4)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 5/20 0.62
MAPK8 P45983 4/20 0.59
MAPK10 P53779 4/20 0.59
MAPK14 Q16539 2/20 0.59
PRKDC P78527 1/20 0.58
NUAK1 O60285 1/20 0.56
CDK4 P11802 13/20 0.56
CCND1 P24385 13/20 0.56
CCND3 P30281 13/20 0.56
CCND2 P30279 12/20 0.56
CDK2 P24941 7/20 0.56
CCNA2 P20248 6/20 0.56
FGFR1 P11362 3/20 0.56
FGFR2 P21802 3/20 0.56
FGFR4 P22455 3/20 0.56
FGFR3 P22607 3/20 0.56
CCNE1 P24864 6/20 0.56
CCNE2 O96020 5/20 0.56
CCNA1 P78396 5/20 0.56
CCNB2 O95067 3/20 0.56

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
SCHEMBL3969977 0.84 CDK4 (0.61) CDK4CCND1CCND3CCND2CDK2
SCHEMBL3970698 0.83 CDK2 (0.65) PRKDCCDK4CCND1CCND3CCND2
SCHEMBL3967349 0.82 CDK4 (0.80) NUAK1CDK4CCND1CCND3CCND2
SCHEMBL3970463 0.82 CDK4 (0.81) MAPK9MAPK14NUAK1CDK4CCND1
SCHEMBL3974659 0.80 CDK4 (0.81) NUAK1CDK4CCND1CCND3CCND2
SCHEMBL3971064 0.80 CDK4 (0.54) NUAK1CDK4CCND1CCND3CCND2
SCHEMBL3973205 0.80 CDK4 (0.73) CDK4CCND1CCND3CCND2CDK2
SCHEMBL3970301 0.79 CDK4 (0.66) NUAK1CDK4CCND1CCND3CCND2
SCHEMBL13554032 0.79 CDK4 (0.70) MAPK9MAPK8MAPK10MAPK14NUAK1
SCHEMBL13385809 0.78 CDK4 (0.58) MAPK9MAPK8MAPK10MAPK14NUAK1

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
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 MAPK9 562/4885MAPK8 157/4885MAPK10 865/4885

“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.