SCHEMBL25908809

SCHEMBL25908809

BC1(Nc2ncc3cc(C)c(=O)n([C@@H]4CCC[C@@]4(C)O)c3n2)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.76
CDK2 P24941 20/20 0.76
CCND1 P24385 19/20 0.76
CDK6 Q00534 19/20 0.76
CDK4 P11802 4/20 0.76
CCNT1 O60563 3/20 0.76
CDK9 P50750 3/20 0.76
CCND3 P30281 3/20 0.62
CCNE2 O96020 1/20 0.60
RB1 P06400 1/20 0.60
CDK1 P06493 1/20 0.60
CCNA2 P20248 1/20 0.60

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
SCHEMBL25908823 0.89 CCND1 (0.77) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25909065 0.88 CCND1 (0.69) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25909491 0.88 CCND1 (0.69) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30550413 0.86 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30550124 0.86 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25316105 0.86 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL26472010 0.86 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863639 0.86 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863641 0.86 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25908745 0.86 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CDK4

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 CCNE1 47/4885CDK2 1/4885CCND1 27/4885

“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.