SCHEMBL25949575

SCHEMBL25949575

CC(C)CC1CNC(=O)c2cc3cnc(C#N)nc3n21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.54
CCNE1 P24864 8/20 0.54
CDK4 P11802 4/20 0.54
CCND1 P24385 4/20 0.54
CTSK P43235 5/20 0.38
CTSS P25774 4/20 0.38
RPS6KA3 P51812 2/20 0.36

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
SCHEMBL4549836 0.84 CDK2 (0.56) CDK2CCNE1CDK4CCND1RPS6KA3
SCHEMBL4549878 0.84 CDK2 (0.56) CDK2CCNE1CDK4CCND1RPS6KA3
SCHEMBL16074639 0.71 CDK2 (1.00) CDK2CCNE1CDK4CCND1
SCHEMBL15249257 0.71 CDK2 (1.00) CDK2CCNE1CDK4CCND1
SCHEMBL10082757 0.71 CDK2 (1.00) CDK2CCNE1CDK4CCND1
SCHEMBL16074640 0.71 CDK2 (1.00) CDK2CCNE1CDK4CCND1
SCHEMBL15249256 0.71 CDK2 (1.00) CDK2CCNE1CDK4CCND1
SCHEMBL22005395 0.71 CDK2 (1.00) CDK2CCNE1CDK4CCND1
SCHEMBL15249217 0.67 CDK2 (0.54) CDK2CCNE1CDK4CCND1RPS6KA3
SCHEMBL15249214 0.67 CDK2 (0.54) CDK2CCNE1CDK4CCND1RPS6KA3

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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2023-08-10 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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS MKI67, PCNA, HRAS CDK2 69/4885CCNE1 58/4885CDK4 16/4885

“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.