SCHEMBL31090838

SCHEMBL31090838

Cc1nc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 1.00
▸ CCNE1 P24864 19/20 1.00
▸ GSK3B P49841 6/20 0.69

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
SCHEMBL22312411 1.00 CDK2 (1.00) CDK2CCNE1GSK3B
SCHEMBL22286750 0.89 CCNE1 (1.00) CDK2CCNE1GSK3B
SCHEMBL22286746 0.89 CCNE1 (1.00) CDK2CCNE1GSK3B
SCHEMBL30519001 0.89 CCNE1 (1.00) CDK2CCNE1GSK3B
SCHEMBL22311474 0.88 CDK2 (0.78) CDK2CCNE1GSK3B
SCHEMBL22312449 0.87 CCNE1 (1.00) CDK2CCNE1GSK3B
SCHEMBL31090790 0.87 CCNE1 (1.00) CDK2CCNE1GSK3B
SCHEMBL22287028 0.84 CDK2 (1.00) CDK2CCNE1GSK3B
SCHEMBL22287033 0.84 CDK2 (1.00) CDK2CCNE1GSK3B
SCHEMBL22287169 0.84 CDK2 (1.00) CDK2CCNE1GSK3B

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-20240294506-A1 CDK2 INHIBITORS PFIZER INC. (US) 2024-09-05 — — 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-20240294506-A1 CDK2 INHIBITORS CDK2, CDK1, CCNI CDK2 1/4885CCNE1 8/4885GSK3B 114/4885

“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.

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