SCHEMBL2542372

SCHEMBL2542372

COc1cc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2cc1OCCCO

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.50
PLK3 Q9H4B4 3/20 0.47
CDK2 P24941 1/20 0.45
IKBKE Q14164 1/20 0.45

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
SCHEMBL2543200 0.97 PLK1 (0.50) PLK1PLK3CDK2IKBKE
SCHEMBL3892229 0.93 PLK1 (0.53) PLK1PLK3CDK2IKBKE
SCHEMBL2539450 0.89 PLK1 (0.46) PLK1PLK3CDK2IKBKE
SCHEMBL2490892 0.88 MCHR1 (0.47) PLK1PLK3CDK2IKBKE
SCHEMBL2544124 0.88 EGFR (0.45) PLK1PLK3IKBKE
SCHEMBL2495220 0.87 IKBKE (0.49) PLK1PLK3CDK2IKBKE
SCHEMBL3890232 0.85 PLK1 (0.50) PLK1PLK3CDK2IKBKE
SCHEMBL2536125 0.85 FGFR1 (0.48) PLK1PLK3CDK2IKBKE
SCHEMBL3897324 0.84 PLK1 (0.45) PLK1PLK3CDK2IKBKE
SCHEMBL14433768 0.84 PLK1 (0.45) PLK1PLK3CDK2IKBKE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 PLK1 2782/4885PLK3 1584/4885CDK2 1266/4885

“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.