SCHEMBL4506293

SCHEMBL4506293

CCn1c(-c2nc(N)ncc2F)cnc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.34
RPS6KA5 O75582 1/20 0.34
KCNH2 Q12809 6/20 0.34
CDK2 P24941 5/20 0.33
BCL6 P41182 1/20 0.31
CDC7 O00311 1/20 0.31
KDM4E B2RXH2 2/20 0.31
RAD52 P43351 1/20 0.31
KAT7 O95251 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL4248122 0.80 RPS6KA3 (0.36) RPS6KA3KCNH2CDK2BCL6CDC7
SCHEMBL273281 0.77 KCNH2 (0.54) KCNH2CDK2
SCHEMBL1448068 0.73 CYP11B2 (0.34) RPS6KA3KCNH2CDK2CDC7KDM4E
SCHEMBL4246503 0.72 ALDH1A1 (0.38) RPS6KA5KCNH2CDK2KDM4EADORA1
SCHEMBL6595714 0.72 CDK2 (0.52) CDK2CDC7KDM4E
SCHEMBL4249428 0.70 CDK2 (0.39) CDK2CDC7
SCHEMBL633585 0.70 PIK3CA (0.39) KCNH2CDK2
SCHEMBL1155944 0.68 KCNH2 (0.39) KCNH2CDK2ADORA1
SCHEMBL4246511 0.68 ADORA1 (0.32) RPS6KA3BCL6CDC7KDM4EADORA1
SCHEMBL19497169 0.64 CDK2 (0.40) RPS6KA5CDK2KDM4EKAT7

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 3 patents. 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
EP-1828183-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006064251-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 RPS6KA3 612/4885RPS6KA5 536/4885KCNH2 3837/4885

“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.