SCHEMBL3967522

SCHEMBL3967522

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
LMNA P02545 1/20 0.43
BRAF P15056 9/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTPN1 P18031 2/20 0.41
ADORA1 P30542 1/20 0.41
TSHR P16473 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3971186 0.81 BRAF (0.43) CDK4CCND1CCND2CCND3BRAF
SCHEMBL3973604 0.78 SYK (0.58) CDK4CCND1
SCHEMBL3971813 0.77 CDK4 (0.54) IKBKBALDH1A1CDK4CCND1CCND2
SCHEMBL19116740 0.75 PTPN1 (0.68) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL3970405 0.75 SYK (0.50) IKBKBALDH1A1CDK4CCND1CCND2
SCHEMBL6073777 0.72 BRAF (0.43) CDK4CCND1CCND2CCND3BRAF
SCHEMBL6074500 0.71 PIK3CA (0.55)
SCHEMBL4239474 0.70 CSNK1A1 (0.52) CDK4CCND1CCND2CCND3
SCHEMBL6073611 0.68 CDK4 (0.41) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL17095493 0.68 HDAC3 (0.49) KDM4EALDH1A1SMN1; SMN2PTPN1AAK1

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 IKBKB 791/4885HPGD 594/4885KDM4E 3108/4885

“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.