SCHEMBL15622136

SCHEMBL15622136

N[C@H]1N=C(c2ccccc2)c2ccccc2N(c2cccnc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
GABRA4 P48169 1/20 0.58
GABRE P78334 1/20 0.58
GABRA6 Q16445 1/20 0.58
GABRG1 Q8N1C3 1/20 0.58
GABRG3 Q99928 1/20 0.58
GABRQ Q9UN88 1/20 0.58
HTT P42858 3/20 0.48
CCKBR P32239 6/20 0.45
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44

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
SCHEMBL17044696 1.00 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15622053 0.78 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15622052 0.78 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6005639 0.78 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9091371 0.75 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15619571 0.74 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15619570 0.74 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7090201 0.74 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2923672 0.74 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1835654 0.74 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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 13 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
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-9242940-B2 N-substituted bis(fluoroalkyl)-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US 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
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
EP-2897946-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS Bristol-Myers Squibb Company (US) 2015-07-29 EP disclosed
WO-2014047393-A9 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-01 WO disclosed
WO-2014047393-A9 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-01 WO disclosed
WO-2014047393-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
WO-2014047393-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS 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 (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 GABRP 479/4885GABRD 352/4885GABRA1 196/4885

“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.