SCHEMBL25909110

SCHEMBL25909110

BC1(Nc2ncc3ccc(=O)n([C@@H]4CCC[C@@]4(C)O)c3n2)CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.59
CDK2 P24941 20/20 0.59
CCND1 P24385 19/20 0.59
CDK6 Q00534 19/20 0.59
CCNT1 O60563 1/20 0.59
CDK4 P11802 1/20 0.59
CCND3 P30281 1/20 0.59
CDK9 P50750 1/20 0.59

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
SCHEMBL25908745 0.85 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL24104263 0.85 CCNE1 (0.74) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30517133 0.85 CCNE1 (0.74) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL25909395 0.82 CCND1 (0.55) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27089944 0.77 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL26751472 0.77 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27134027 0.77 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL25908787 0.76 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30839130 0.76 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL26754758 0.76 CCNE1 (0.59) 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 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.