SCHEMBL3970477

SCHEMBL3970477

CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)C(=O)NC4)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.58
JAK3 P52333 1/20 0.57
JAK2 O60674 1/20 0.55
BRD4 O60885 1/20 0.55
CDK4 P11802 8/20 0.54
CCND1 P24385 7/20 0.54
CCNT1 O60563 1/20 0.54
CDK9 P50750 1/20 0.54
CCND2 P30279 6/20 0.53
CCND3 P30281 6/20 0.53
CCNE2 O96020 3/20 0.53
CCNA2 P20248 3/20 0.53
CCNE1 P24864 3/20 0.53
CDK2 P24941 3/20 0.53
CCNA1 P78396 3/20 0.53
CCNB2 O95067 2/20 0.53
CDK1 P06493 2/20 0.53
FGFR1 P11362 2/20 0.53
CCNB1 P14635 2/20 0.53
FGFR2 P21802 2/20 0.53

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 1.00 TNK2 (0.58) TNK2JAK3JAK2BRD4CDK4
SCHEMBL3967294 0.89 DCLK1 (0.62) TNK2JAK3JAK2BRD4CDK4
SCHEMBL3971348 0.87 CDK4 (0.57) TNK2JAK3JAK2BRD4CDK4
SCHEMBL3967315 0.87 DCLK1 (0.49) TNK2JAK3JAK2BRD4CDK4
SCHEMBL3971047 0.85 RPS6KA6 (0.64) TNK2JAK3JAK2CDK4CCND1
SCHEMBL3967395 0.82 SYK (0.48) TNK2JAK3JAK2BRD4CDK4
SCHEMBL3968472 0.81 CDK4 (0.64) TNK2JAK3JAK2BRD4CDK4
SCHEMBL17396455 0.80 CDK4 (0.61) JAK3JAK2CDK4CCND1CCNT1
SCHEMBL3973278 0.80 CDK4 (0.46) TNK2JAK3JAK2CDK4CCND1
SCHEMBL17396469 0.79 STAT6 (0.58) TNK2JAK3CDK4CCND1CCNT1

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 8 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
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
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 TNK2 277/4885JAK3 991/4885JAK2 469/4885

“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.