SCHEMBL3971186

SCHEMBL3971186

CC(C)NC(=O)Nc1ncc2cnc(Nc3ccncc3)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CSNK1A1 P48729 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
BRD4 O60885 1/20 0.40
AURKA O14965 1/20 0.40
MAP4K1 Q92918 1/20 0.39

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
SCHEMBL4239474 0.89 CSNK1A1 (0.52) GAAPKMCSNK1A1CDK4CCND1
SCHEMBL3967522 0.81 IKBKB (0.46) BRAFCDK4CCND1CCND2CCND3
SCHEMBL6073777 0.80 BRAF (0.43) BRAFCSNK1A1CDK4CCND1CCND2
SCHEMBL3969880 0.78 CDK4 (0.56) CDK4CCND1CCND2CCND3BRD4
SCHEMBL3971261 0.78 SYK (0.62) CDK4CCND1BRD4
SCHEMBL5312797 0.76 PTK2 (0.41) GAAPKMCSNK1A1CDK4CCND1
SCHEMBL2632915 0.74 MDM2 (0.67) GAAPKM
SCHEMBL3970439 0.74 SYK (0.50) CDK4CCND1CCND2CCND3BRD4
SCHEMBL3974670 0.72 PTK2 (0.49) BRAFCDK4CCND1CCND2CCND3
SCHEMBL6074500 0.71 PIK3CA (0.55)

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 6 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
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 BRAF 302/4885GAA 3637/4885PKM 1175/4885

“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.