SCHEMBL1085307

SCHEMBL1085307

N#CC1(c2ccc3c(c2)NCc2ccc(C(F)(F)F)nc2N3)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.37
BRS3 P32247 12/20 0.36
PRKCE Q02156 4/20 0.33
CYP1A2 P05177 2/20 0.33
NR1I2 O75469 1/20 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
SCHEMBL1085560 0.79 BRS3 (0.39) BRS3NR1I2
SCHEMBL1085261 0.78 BRS3 (0.39) BRS3NR1I2
SCHEMBL1085650 0.76 BRS3 (0.46) BRS3NR1I2
SCHEMBL10240126 0.72 BRS3 (0.72) BRS3NR1I2
SCHEMBL17814338 0.70 IDH1 (0.51) NR1I2
SCHEMBL1085917 0.69 BRS3 (0.50) BRS3NR1I2
SCHEMBL13114856 0.69 BRS3 (0.46) BRS3NR1I2
SCHEMBL26116510 0.68 PRKCE (0.41) PRKCECYP1A2
SCHEMBL1085843 0.68 BRS3 (0.51) BRS3NR1I2
SCHEMBL14177492 0.68 BRS3 (0.36) BRS3NR1I2

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 OTUD7B 3924/4885BRS3 1/4885PRKCE 3008/4885

“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.