SCHEMBL15622249

SCHEMBL15622249

Cc1cccc2c1NC(=O)C(N)N=C2c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 16/20 0.58
NOTCH3 Q9UM47 13/20 0.58
RBPJ Q06330 3/20 0.41
MAPK14 Q16539 1/20 0.39
IKBKB O14920 1/20 0.39
KDM1A O60341 1/20 0.38
XDH P47989 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
SCHEMBL15631538 1.00 NOTCH1 (0.58) NOTCH1NOTCH3RBPJMAPK14IKBKB
SCHEMBL15608508 0.86 NOTCH1 (0.54) NOTCH1NOTCH3RBPJ
SCHEMBL15608509 0.86 NOTCH1 (0.54) NOTCH1NOTCH3RBPJ
SCHEMBL18174929 0.86 NOTCH1 (0.48) NOTCH1NOTCH3RBPJ
SCHEMBL9865175 0.83 NOTCH1 (0.50) NOTCH1NOTCH3RBPJ
SCHEMBL9865173 0.83 NOTCH1 (0.50) NOTCH1NOTCH3RBPJ
SCHEMBL9865168 0.83 NOTCH1 (0.50) NOTCH1NOTCH3RBPJ
SCHEMBL15622551 0.83 NOTCH1 (0.54) NOTCH1NOTCH3RBPJ
SCHEMBL15629462 0.83 NOTCH1 (0.54) NOTCH1NOTCH3RBPJ
SCHEMBL15622343 0.82 NOTCH1 (0.45) 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 16 patents. 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-2897954-B1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 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
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-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-20150218111-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-08-06 US disclosed
EP-2897954-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS Bristol-Myers Squibb Company (US) 2015-07-29 EP 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
WO-2014047392-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS 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

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-20150218111-A1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, CNKSR1 NOTCH1 18/4885NOTCH3 46/4885RBPJ 230/4885
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.