SCHEMBL4516013

SCHEMBL4516013

Cc1ncc(-c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)n1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 1.00
CDK2 P24941 17/20 0.81
CDK1 P06493 7/20 0.72

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
SCHEMBL27382932 0.91 CDK2 (0.83) KCNH2CDK2CDK1
SCHEMBL30828143 0.91 CDK2 (0.83) KCNH2CDK2CDK1
SCHEMBL13522737 0.90 CDK2 (0.85) KCNH2CDK2CDK1
SCHEMBL4524256 0.90 CDK2 (1.00) KCNH2CDK2CDK1
SCHEMBL1447527 0.90 CDK2 (0.81) KCNH2CDK2CDK1
Lithium Ion SCHEMBL1447528 0.89 CDK2 (0.80) KCNH2CDK2CDK1
SCHEMBL4243881 0.88 KCNH2 (0.79) KCNH2CDK2CDK1
SCHEMBL3937054 0.88 CDK2 (0.79) KCNH2CDK2CDK1
SCHEMBL4251192 0.88 KCNH2 (0.79) KCNH2CDK2CDK1
Hydrochloric Acid SCHEMBL1156127 0.87 CDK2 (0.77) KCNH2CDK2CDK1

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 2 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
CN-101115752-A 4- (4- (imidazol-4-yl) pyrimidin-2-ylamino) benzamides as cdk inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN 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 KCNH2 3837/4885CDK2 4/4885CDK1 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.