SCHEMBL15629465

SCHEMBL15629465

Cc1cccc(C2=NC(N)C(=O)Nc3c(Cl)cccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 17/20 0.54
NOTCH3 Q9UM47 13/20 0.54
RBPJ Q06330 4/20 0.47
PBRM1 Q86U86 1/20 0.39
NSD2 O96028 1/20 0.38
BCHE P06276 1/20 0.38
DAO P14920 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL15608298 1.00 NOTCH1 (0.54) NOTCH1NOTCH3RBPJPBRM1NSD2
SCHEMBL15608441 0.92 NOTCH1 (0.53) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL15629461 0.92 NOTCH1 (0.53) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL17030687 0.88 NOTCH1 (0.42) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL17030724 0.87 NOTCH1 (0.50) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL15629496 0.87 NOTCH1 (0.52) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL15608200 0.87 NOTCH1 (0.52) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL15623736 0.86 NOTCH1 (0.46) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL15628179 0.86 NOTCH1 (0.46) NOTCH1NOTCH3RBPJNSD2BCHE
SCHEMBL17019559 0.86 NOTCH1 (0.47) NOTCH1NOTCH3RBPJ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-9427442-B2 Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 US disclosed
US-20150231152-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-08-20 US disclosed
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
US-8999918-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 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 (4 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-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB NOTCH1 71/4885NOTCH3 47/4885RBPJ 136/4885
US-20150231152-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, HRH3 NOTCH1 95/4885NOTCH3 37/4885RBPJ 235/4885
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 NOTCH1 61/4885NOTCH3 34/4885RBPJ 190/4885
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB NOTCH1 71/4885NOTCH3 47/4885RBPJ 136/4885

“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.