SCHEMBL17019559

SCHEMBL17019559

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 17/20 0.47
RBPJ Q06330 4/20 0.47
NOTCH3 Q9UM47 13/20 0.43
CCKBR P32239 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36

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
SCHEMBL15622296 1.00 NOTCH1 (0.47) NOTCH1RBPJNOTCH3CCKBRGABRP
SCHEMBL17030708 0.89 NOTCH1 (0.42) NOTCH1RBPJNOTCH3GABRPGABRD
SCHEMBL17030683 0.88 NOTCH1 (0.40) NOTCH1RBPJNOTCH3CCKBRGABRP
SCHEMBL22455443 0.86 NOTCH1 (0.45) NOTCH1RBPJNOTCH3CCKBRGABRP
SCHEMBL29692154 0.86 NOTCH1 (0.45) NOTCH1RBPJNOTCH3CCKBRGABRP
SCHEMBL15622047 0.86 NOTCH1 (0.45) NOTCH1RBPJNOTCH3CCKBRGABRP
SCHEMBL15622200 0.86 NOTCH1 (0.45) NOTCH1RBPJNOTCH3CCKBRGABRP
SCHEMBL15608298 0.86 NOTCH1 (0.54) NOTCH1RBPJNOTCH3
SCHEMBL15629465 0.86 NOTCH1 (0.54) NOTCH1RBPJNOTCH3
SCHEMBL17030706 0.86 NOTCH1 (0.43) NOTCH1RBPJNOTCH3CCKBR

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 10 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
EP-2897954-B1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2897954-B1 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-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9133139-B2 Fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-15 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-20150218111-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-08-06 US disclosed
WO-2014047392-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO 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 (3 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-20150231152-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, HRH3 NOTCH1 95/4885RBPJ 235/4885NOTCH3 37/4885
US-20150218111-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, CNKSR1 NOTCH1 18/4885RBPJ 230/4885NOTCH3 46/4885
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 NOTCH1 61/4885RBPJ 190/4885NOTCH3 34/4885

“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.