SCHEMBL25907922

SCHEMBL25907922

CS(=O)(=O)N1CCC(Nc2ncc3cc(C(F)F)c(=O)n([C@H]4C[C@H](O)CC[C@@H]4F)c3n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 20/20 0.80
CCNE1 P24864 20/20 0.80
CDK2 P24941 20/20 0.80
CDK6 Q00534 20/20 0.80
CCNT1 O60563 1/20 0.67
CCNE2 O96020 1/20 0.67
RB1 P06400 1/20 0.67
CDK1 P06493 1/20 0.67
CDK4 P11802 1/20 0.67
CCNA2 P20248 1/20 0.67
CCND3 P30281 1/20 0.67
CDK9 P50750 1/20 0.67

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
SCHEMBL30550198 0.94 CCND1 (0.72) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL30550203 0.91 CCND1 (0.67) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL25907952 0.90 CCNE1 (0.79) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL29798900 0.89 CCNE1 (1.00) CCND1CCNE1CDK2CDK6
SCHEMBL19857325 0.89 CCNE1 (1.00) CCND1CCNE1CDK2CDK6
SCHEMBL19863595 0.89 CCNE1 (1.00) CCND1CCNE1CDK2CDK6
SCHEMBL30550121 0.89 CCND1 (0.64) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL30550178 0.88 CCNE1 (0.75) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL30550107 0.87 CCND1 (0.62) CCND1CCNE1CDK2CDK6
SCHEMBL19863716 0.87 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CCNT1

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-20230242526-A1 Deuterated Pyridopyrimidinones And Their Use As Highly Selective Cyclin-Dependent Kinase 2 Inhibitors ZENTAUR THERAPEUTICS INTERNATIONAL LIMITED (CN) 2023-08-03 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-20230242526-A1 Deuterated Pyridopyrimidinones And Their Use As Highly Selective Cyclin-Dependent Kinase 2 Inhibitors CDK2, CDK4, CCNI CCND1 27/4885CCNE1 47/4885CDK2 1/4885

“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.