SCHEMBL25950341

SCHEMBL25950341

Cc1ncc2c(-c3ccccc3C)c3n(c2n1)CCNC3=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.43
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL15298049 0.89 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18637988 0.82 CCND1 (0.43)
SCHEMBL18720916 0.82 WEE1 (0.41)
SCHEMBL15298075 0.80 RIPK2 (0.48)
SCHEMBL18637893 0.80 RIPK2 (0.48)
SCHEMBL15298147 0.78 CCND3 (0.50) ALDH1A1
SCHEMBL16088349 0.69 PARP1 (0.39) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14484012 0.67 PARP1 (0.76) PARP1
SCHEMBL21440275 0.67 CYP1A2 (0.33) ALDH1A1
SCHEMBL16088345 0.67 CDK4 (0.51) PARP1

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 PARP1 149/4885KDM4E 2602/4885ALDH1A1 1438/4885

“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.