SCHEMBL3972875

SCHEMBL3972875

O=c1ncc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.56
CCND1 P24385 17/20 0.56
CCNA2 P20248 14/20 0.56
CDK2 P24941 14/20 0.56
CCND2 P30279 10/20 0.56
CCND3 P30281 10/20 0.56
CCNA1 P78396 6/20 0.56
CCNE2 O96020 5/20 0.56
CCNE1 P24864 5/20 0.56
CCNB2 O95067 3/20 0.56
CDK1 P06493 3/20 0.56
CCNB1 P14635 3/20 0.56
CCNB3 Q8WWL7 3/20 0.56
FGFR1 P11362 9/20 0.54
FGFR2 P21802 9/20 0.54
FGFR4 P22455 9/20 0.54
FGFR3 P22607 9/20 0.54
PAK4 O96013 1/20 0.54
PAK1 Q13153 1/20 0.54
PKN1 Q16512 1/20 0.54

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
SCHEMBL5265921 0.89 CDK4 (0.70) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL5263585 0.88 CDK4 (0.71) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL5262216 0.88 CDK4 (0.71) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL1356095 0.85 AURKA (0.56) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL5264335 0.83 CDK4 (0.64) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL3971192 0.83 CDK4 (0.58) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL1782006 0.83 PRKDC (0.60) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL3967349 0.82 CDK4 (0.80) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL3969977 0.82 CDK4 (0.61) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL3973205 0.82 CDK4 (0.73) CDK4CCND1CCNA2CDK2CCND2

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 CDK4 4/4885CCND1 13/4885CCNA2 22/4885

“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.