SCHEMBL1085374

SCHEMBL1085374

Cc1cccc2c1NCc1ccc(Cl)nc1N2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.35
CREBBP Q92793 1/20 0.34
HTR5A P47898 2/20 0.33

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
SCHEMBL17803332 0.83 MEN1 (0.33) BRS3
SCHEMBL1085529 0.83 BRS3 (0.44) BRS3
SCHEMBL1085496 0.79 NOX1 (0.40) BRS3HTR5A
SCHEMBL1085611 0.69 BRS3 (0.48) BRS3
SCHEMBL1085353 0.69 BRS3 (0.42) BRS3
SCHEMBL1085351 0.68 TDP2 (0.32) BRS3
SCHEMBL31170762 0.67 CREBBP (0.57) CREBBP
SCHEMBL20939529 0.66
SCHEMBL1085891 0.65 BRS3 (0.41) BRS3
SCHEMBL1085404 0.64 BRS3 (0.48) BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
EP-2102201-B1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK SHARP & DOHME (US) 2010-10-13 EP 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-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 BRS3 1/4885CREBBP 472/4885HTR5A 274/4885

“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.