SCHEMBL30519082

SCHEMBL30519082

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

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.68
▸ CCNE1 P24864 18/20 0.68
▸ GSK3B P49841 7/20 0.48
▸ CCNA2 P20248 1/20 0.46
▸ CCNA1 P78396 1/20 0.46

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
SCHEMBL25335511 1.00 CDK2 (0.68) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL30519137 0.84 CDK2 (0.66) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL30519064 0.84 CDK2 (0.66) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL25334570 0.84 CDK2 (0.66) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL30519072 0.82 CCNE1 (0.68) CDK2CCNE1GSK3B
SCHEMBL25333583 0.82 CCNE1 (0.68) CDK2CCNE1GSK3B
SCHEMBL31090838 0.81 CDK2 (1.00) CDK2CCNE1GSK3B
SCHEMBL22312411 0.81 CDK2 (1.00) CDK2CCNE1GSK3B
SCHEMBL25334611 0.81 CCNE1 (0.66) CDK2CCNE1GSK3B
SCHEMBL30519002 0.81 CCNE1 (0.66) 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-11718603-B2 CDK2 inhibitors PFIZER INC. (US) 2023-08-08 — — 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-11718603-B2 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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