SCHEMBL6005722

SCHEMBL6005722

COc1ccc(C2=NC(N)C(=O)Nc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CCKBR P32239 6/20 0.48
CCKAR P32238 2/20 0.45
MAPT P10636 3/20 0.43
TTR P02766 1/20 0.43
GAA P10253 1/20 0.43
LRRK2 Q5S007 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM1 P11229 2/20 0.43
HDAC1 Q13547 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6005018 0.86 MEN1 (0.47) ALDH1A1MEN1KMT2ACCKBRCCKAR
SCHEMBL8722144 0.86 GABRA1 (0.55) ALDH1A1MEN1KMT2ACCKBRCCKAR
SCHEMBL18315499 0.85 MEN1 (0.50) ALDH1A1MEN1KMT2ACCKBRCCKAR
SCHEMBL15629440 0.85 MEN1 (0.50) ALDH1A1MEN1KMT2ACCKBRCCKAR
SCHEMBL15623700 0.85 CHRM1 (0.60) ALDH1A1MEN1KMT2ACCKBRLRRK2
SCHEMBL15628246 0.85 CHRM1 (0.60) ALDH1A1MEN1KMT2ACCKBRLRRK2
SCHEMBL17019701 0.85 NOTCH1 (0.49) ALDH1A1MEN1KMT2ACCKBRMAPT
SCHEMBL17004989 0.85 NOTCH1 (0.49) ALDH1A1MEN1KMT2ACCKBRMAPT
SCHEMBL4700911 0.85 MEN1 (0.58) ALDH1A1MEN1KMT2ACCKBRCCKAR
SCHEMBL642305 0.85 MEN1 (0.58) ALDH1A1MEN1KMT2ACCKBRCCKAR

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 23 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-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-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 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-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-8999918-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-8999918-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US 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
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-2014047393-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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 (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-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB ALDH1A1 899/4885MEN1 1075/4885KMT2A 733/4885
US-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP ALDH1A1 760/4885MEN1 3871/4885KMT2A 3113/4885
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, CNKSR1 ALDH1A1 1244/4885MEN1 1682/4885KMT2A 896/4885

“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.