SCHEMBL3967294

SCHEMBL3967294

CN1C(=O)NCc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 3/20 0.62
LRRK2 Q5S007 3/20 0.62
TNK2 Q07912 3/20 0.60
SYK P43405 2/20 0.50
JAK3 P52333 2/20 0.49
CDK4 P11802 4/20 0.49
CCND1 P24385 4/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
JAK2 O60674 1/20 0.49
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
MAPK8 P45983 1/20 0.47
CCND2 P30279 2/20 0.46
CCND3 P30281 2/20 0.46
MAPK7 Q13164 1/20 0.46

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
SCHEMBL30346164 0.89 TNK2 (0.58) TNK2JAK3CDK4CCND1CCNA2
SCHEMBL3970477 0.89 TNK2 (0.58) TNK2JAK3CDK4CCND1CCNA2
SCHEMBL3967315 0.88 DCLK1 (0.49) DCLK1LRRK2TNK2SYKJAK3
SCHEMBL3968273 0.87 DCLK1 (0.55) DCLK1LRRK2TNK2SYKJAK3
SCHEMBL3971247 0.85 CDK4 (0.54) DCLK1LRRK2TNK2SYKCDK4
SCHEMBL3965360 0.82 CDK4 (0.52) DCLK1LRRK2TNK2SYKJAK3
SCHEMBL3973278 0.81 CDK4 (0.46) DCLK1LRRK2TNK2JAK3CDK4
SCHEMBL7856930 0.80 DCLK1 (0.49) DCLK1LRRK2TNK2SYKJAK3
SCHEMBL3967395 0.80 SYK (0.48) DCLK1LRRK2TNK2SYKJAK3
SCHEMBL3971047 0.78 RPS6KA6 (0.64) TNK2JAK3CDK4CCND1CCNA2

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
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-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 DCLK1 807/4885LRRK2 1552/4885TNK2 277/4885

“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.