SCHEMBL3970503

SCHEMBL3970503

CN(C)C1CCN(c2ccc(Nc3ncc4cnc(=O)n(C)c4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.59
BRD4 O60885 7/20 0.59
JAK1 P23458 1/20 0.58
BRD2 P25440 1/20 0.58
JAK3 P52333 1/20 0.58
BRD3 Q15059 1/20 0.58
BRDT Q58F21 1/20 0.58
FGFR4 P22455 3/20 0.53
CDK4 P11802 7/20 0.52
CCND1 P24385 6/20 0.52
CCND2 P30279 6/20 0.52
CCND3 P30281 6/20 0.52
WEE1 P30291 2/20 0.51
EGFR P00533 1/20 0.51
ERBB3 P21860 1/20 0.51
CCNE2 O96020 4/20 0.51
CCNA2 P20248 4/20 0.51
CCNE1 P24864 4/20 0.51
CDK2 P24941 4/20 0.51
CCNA1 P78396 4/20 0.51

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
SCHEMBL3976815 0.87 MAPK8 (0.61) JAK2JAK3FGFR4CDK4CCND1
SCHEMBL3967843 0.87 CDK4 (0.58) JAK2BRD4JAK1BRD2JAK3
SCHEMBL3972215 0.85 CDK4 (0.65) JAK2BRD4FGFR4CDK4CCND1
SCHEMBL3972941 0.82 CDK4 (0.66) JAK2BRD4JAK1BRD2JAK3
SCHEMBL7856978 0.80 WEE1 (0.54) JAK2BRD4JAK1BRD2JAK3
SCHEMBL3970416 0.78 CDK4 (0.55) JAK2BRD4JAK3FGFR4CDK4
SCHEMBL3967315 0.76 DCLK1 (0.49) JAK2BRD4JAK1BRD2JAK3
SCHEMBL16570603 0.76 JAK2 (0.66) JAK2BRD4JAK1BRD2JAK3
SCHEMBL16570330 0.75 JAK2 (0.68) JAK2BRD4JAK1BRD2JAK3
SCHEMBL3970463 0.75 CDK4 (0.81) JAK2JAK1JAK3FGFR4CDK4

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 9 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
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO 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 JAK2 469/4885BRD4 341/4885JAK1 225/4885

“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.