SCHEMBL9865175

SCHEMBL9865175

Cc1cccc2c1NC(=O)[C@@H](N)N=C2c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 9/20 0.50
NOTCH3 Q9UM47 7/20 0.50
GABRA1 P14867 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
RBPJ Q06330 2/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL9865173 1.00 NOTCH1 (0.50) NOTCH1NOTCH3GABRA1GABRA5GABRA3
SCHEMBL9865168 1.00 NOTCH1 (0.50) NOTCH1NOTCH3GABRA1GABRA5GABRA3
SCHEMBL15608401 0.88 NOTCH1 (0.53) NOTCH1NOTCH3GABRA1GABRA5GABRA3
SCHEMBL15608508 0.87 NOTCH1 (0.54) NOTCH1NOTCH3GABRA1GABRA5GABRA3
SCHEMBL15608509 0.87 NOTCH1 (0.54) NOTCH1NOTCH3GABRA1GABRA5GABRA3
SCHEMBL15629462 0.86 NOTCH1 (0.54) NOTCH1NOTCH3RBPJDAOMEN1
SCHEMBL15622551 0.86 NOTCH1 (0.54) NOTCH1NOTCH3RBPJDAOMEN1
SCHEMBL7544945 0.84 CCKBR (0.41) NOTCH1NOTCH3DAOCCKBR
SCHEMBL7544940 0.84 CCKBR (0.41) NOTCH1NOTCH3DAOCCKBR
SCHEMBL22455443 0.84 NOTCH1 (0.45) NOTCH1NOTCH3GABRA1GABRA5GABRA3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897945-B1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2897945-B1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
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
EP-2897942-B1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-2897942-B1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-9427442-B2 Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US 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-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 US disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 US disclosed
WO-2014047372-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
WO-2014047372-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
WO-2014047397-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
WO-2014047392-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
WO-2014047397-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 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-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB NOTCH1 71/4885NOTCH3 47/4885GABRA1 214/4885

“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.