SCHEMBL3971064

SCHEMBL3971064

Cc1cc(Nc2ncc3cnc(=O)n(C4CCCC4)c3n2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.54
CCND1 P24385 20/20 0.54
CCND2 P30279 16/20 0.54
CCND3 P30281 16/20 0.54
CCNA2 P20248 7/20 0.54
CDK2 P24941 7/20 0.54
FGFR1 P11362 4/20 0.54
FGFR2 P21802 4/20 0.54
FGFR4 P22455 4/20 0.54
FGFR3 P22607 4/20 0.54
CCNB2 O95067 3/20 0.52
CDK1 P06493 3/20 0.52
CCNB1 P14635 3/20 0.52
CCNB3 Q8WWL7 3/20 0.52
NUAK1 O60285 2/20 0.52
MARK3 P27448 1/20 0.52
MARK2 Q7KZI7 1/20 0.52
MARK4 Q96L34 1/20 0.52
NUAK2 Q9H093 1/20 0.52
MARK1 Q9P0L2 1/20 0.52

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
SCHEMBL6945124 0.86 CDK4 (0.70) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6944074 0.85 CDK4 (0.72) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5632985 0.84 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL5634938 0.83 CDK4 (0.60) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL5634097 0.83 CYP1A2 (0.65) CDK4CCND1CCND2CCND3CCNA2
Hydrochloric Acid SCHEMBL5520488 0.82 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3971264 0.80 MAPK9 (0.62) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3970719 0.79 CDK4 (0.63) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL3969977 0.79 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL6804995 0.79 CDK4 (0.71) CDK4CCND1CCND2CCND3CCNA2

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 CDK4 4/4885CCND1 13/4885CCND2 17/4885

“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.