SCHEMBL17044697

SCHEMBL17044697

COc1ccc2c(c1)C(c1ccccc1)=NC(NC(=O)O)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.55
CCKAR P32238 10/20 0.55
CHRM1 P11229 1/20 0.54
NOTCH1 P46531 1/20 0.52
RBPJ Q06330 1/20 0.52

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
SCHEMBL11900193 0.88 CCKBR (0.64) CCKBRCCKAR
SCHEMBL17051376 0.86 BRD4 (0.61) CCKBRCCKARNOTCH1RBPJ
SCHEMBL11900064 0.83 CCKBR (0.57) CCKBRCCKAR
SCHEMBL4819173 0.83 MEN1 (0.69) CCKBRCCKARCHRM1
SCHEMBL2930364 0.82 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394473 0.82 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394863 0.82 CCKBR (0.76) CCKBRCCKAR
SCHEMBL643084 0.82 CCKBR (0.71) CCKBRCCKAR
SCHEMBL17044707 0.81 NOTCH1 (0.72) NOTCH1RBPJ
SCHEMBL17044704 0.81 NOTCH1 (0.72) NOTCH1RBPJ

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
EP-2897946-B1 N-SUBSTITUTED BIS(FLUOROALKKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
US-9242940-B2 N-substituted bis(fluoroalkyl)-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 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-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, CNKSR1 CCKBR 407/4885CCKAR 221/4885CHRM1 532/4885

“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.