SCHEMBL29508124

SCHEMBL29508124

CS(=O)(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCC4)c3n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.73
▸ CDK2 P24941 20/20 0.73
▸ CCND1 P24385 15/20 0.73
▸ CDK6 Q00534 15/20 0.73
▸ CCNT1 O60563 5/20 0.73
▸ CDK9 P50750 5/20 0.73
▸ CDK4 P11802 4/20 0.73
▸ CCND3 P30281 1/20 0.72
▸ RB1 P06400 1/20 0.66
▸ CDK1 P06493 1/20 0.66

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
SCHEMBL22860530 1.00 CCNE1 (0.73) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22164779 0.98 CCNE1 (0.76) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29507753 0.98 CCNE1 (0.76) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860414 0.97 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29507883 0.97 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860395 0.93 CCNE1 (0.66) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29507716 0.93 CCNE1 (0.66) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860648 0.91 CCNE1 (0.68) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29507786 0.91 CCNE1 (0.68) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860262 0.90 CCNE1 (0.64) CCNE1CDK2CCND1CDK6CCNT1

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-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 — — US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 — — EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 — — 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-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CCNE1 40/4885CDK2 6/4885CCND1 45/4885

“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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