SCHEMBL12690189

SCHEMBL12690189

CC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 16/20 0.77
NOTCH3 Q9UM47 15/20 0.77
NOTCH2 Q04721 1/20 0.77
NOTCH4 Q99466 1/20 0.77
CCKBR P32239 2/20 0.66
KCNH2 Q12809 1/20 0.64
PSEN1 P49768 1/20 0.61
PSEN2 P49810 1/20 0.61
RBPJ Q06330 1/20 0.61
APH1B Q8WW43 1/20 0.61
NCSTN Q92542 1/20 0.61
APH1A Q96BI3 1/20 0.61
PSENEN Q9NZ42 1/20 0.61

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
SCHEMBL12690228 0.96 NOTCH1 (0.73) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
SCHEMBL12690227 0.96 NOTCH1 (0.77) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
SCHEMBL12542696 0.94 NOTCH1 (0.78) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
SCHEMBL12543029 0.94 NOTCH1 (0.78) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
Osugacestat SCHEMBL29412689 0.92 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
Osugacestat SCHEMBL21577519 0.92 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
Osugacestat SCHEMBL12543867 0.92 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
Osugacestat SCHEMBL12543868 0.92 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
Osugacestat SCHEMBL17420836 0.92 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR
Osugacestat SCHEMBL15622455 0.92 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4CCKBR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381196-A1 COMPOSITIONS COMPRISING BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS FOR TREATING ADENOID CYSTIC CARCINOMA AYALA PHARMACEUTICALS INC. (US) 2023-11-30 US disclosed
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-03-03 US disclosed
US-9273075-B2 Prodrugs of 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150284342-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2015-10-08 US disclosed
US-20150232491-A1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-08-20 US disclosed
US-20140357605-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-12-04 US disclosed
US-8822454-B2 Bisfluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-8629136-B2 Bisfluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-20120245151-A1 BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 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 (6 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-20230381196-A1 COMPOSITIONS COMPRISING BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS FOR TREATING ADENOID CYSTIC CARCINOMA AKR1C3, AKR1D1, CYP2C19 NOTCH1 3781/4885NOTCH3 4248/4885NOTCH2 4683/4885
US-20150232491-A1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS CNR1, RXFP1, CNR2 NOTCH1 158/4885NOTCH3 386/4885NOTCH2 428/4885
US-20140357605-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 NOTCH1 12/4885NOTCH3 6/4885NOTCH2 57/4885
US-20120245151-A1 BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CYP2F1, RORC NOTCH1 29/4885NOTCH3 20/4885NOTCH2 111/4885
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 NOTCH1 12/4885NOTCH3 6/4885NOTCH2 57/4885
US-20150284342-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 NOTCH1 12/4885NOTCH3 6/4885NOTCH2 57/4885

“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.