SCHEMBL2540425

SCHEMBL2540425

NC(=O)c1sc(-n2cnc3ccc(OCCCN4CCCC4)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 9/20 0.47
HRH3 Q9Y5N1 7/20 0.44
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
CHEK2 O96017 1/20 0.41

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
SCHEMBL2538280 0.99 AVPR1B (0.48) AVPR1BHRH3PLK1PLK3CHEK2
SCHEMBL2488199 0.95 HRH3 (0.44) AVPR1BHRH3PLK1PLK3CHEK2
SCHEMBL2540395 0.94 CXCR1 (0.46) AVPR1BHRH3PLK1PLK3
SCHEMBL2536136 0.93 AVPR1B (0.49) AVPR1B
SCHEMBL2543965 0.92 CXCR1 (0.44) AVPR1BHRH3PLK1PLK3
SCHEMBL2532294 0.91 AVPR1B (0.47) AVPR1BHRH3
SCHEMBL2541119 0.90 MEN1 (0.45) PLK1PLK3
SCHEMBL2491218 0.90 PLK1 (0.44) PLK1PLK3
SCHEMBL2532211 0.89 KDM4E (0.49) AVPR1B
SCHEMBL2540418 0.89 PLK1 (0.43) PLK1PLK3

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 8 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 claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
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
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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 AVPR1B 1111/4885HRH3 1953/4885PLK1 2782/4885

“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.