SCHEMBL4500110

SCHEMBL4500110

Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 1.00
▸ CDK1 P06493 9/20 1.00
▸ KCNH2 Q12809 7/20 0.73
▸ CDK4 P11802 1/20 0.57
▸ CDKL1 Q00532 1/20 0.57

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
SCHEMBL4513970 0.89 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1447655 0.86 CDK2 (0.80) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL4518394 0.85 CDK2 (0.74) CDK2CDK1KCNH2
SCHEMBL1447613 0.83 CDK2 (0.81) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL2924704 0.83 KCNH2 (0.82) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447239 0.83 CDK2 (0.82) CDK2CDK1KCNH2
Lithium Ion SCHEMBL2924705 0.82 KCNH2 (0.81) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL2924335 0.82 CDK2 (0.81) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL4248462 0.81 CDK2 (0.72) CDK2CDK1KCNH2
SCHEMBL4516321 0.81 CDK2 (1.00) CDK2CDK1KCNH2CDK4CDKL1

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 claimed

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 4/4885CDK1 6/4885KCNH2 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.

Send feedback