SCHEMBL4513992

SCHEMBL4513992

Cc1cc(C(=O)N(C)C)ccc1Nc1nccc(-c2cnc(C)n2C(C)C)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.76
KCNH2 Q12809 8/20 0.76
CDK1 P06493 7/20 0.55
CDK4 P11802 2/20 0.53
CDKL1 Q00532 1/20 0.53
CCNT1 O60563 1/20 0.52
CCNB1 P14635 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CCNE1 P24864 1/20 0.52
CCND3 P30281 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52

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
SCHEMBL4508243 0.86 CDK2 (1.00) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL4255345 0.85 CDK2 (0.79) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL25122567 0.80 CDK2 (0.74) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL25122549 0.79 CDK2 (0.64) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL25123904 0.79 CDK2 (0.64) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL29991020 0.79 CDK2 (0.64) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL3711174 0.78 CDK2 (0.46) CDK2KCNH2MAPK8
SCHEMBL27360485 0.78 CDK2 (0.63) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL27229132 0.78 CDK2 (0.66) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL278928 0.77 CDK2 (0.82) CDK2KCNH2CDK1CDK4CDKL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 CDK2 4/4885KCNH2 3837/4885CDK1 6/4885

“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.