SCHEMBL22970147

SCHEMBL22970147

CN1C(=O)[C@@H](NC(=O)[C@H](CCCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 19/20 0.80
NOTCH3 Q9UM47 17/20 0.80
NOTCH2 Q04721 1/20 0.80
NOTCH4 Q99466 1/20 0.80
RBPJ Q06330 2/20 0.70
PSEN1 P49768 1/20 0.70
PSEN2 P49810 1/20 0.70
APH1B Q8WW43 1/20 0.70
NCSTN Q92542 1/20 0.70
APH1A Q96BI3 1/20 0.70
PSENEN Q9NZ42 1/20 0.70
CCKBR P32239 1/20 0.62

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
Osugacestat SCHEMBL21577519 0.97 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
Osugacestat SCHEMBL12543867 0.97 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
Osugacestat SCHEMBL15622455 0.97 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
Osugacestat SCHEMBL17420836 0.97 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
Osugacestat SCHEMBL12543868 0.97 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
Osugacestat SCHEMBL18288911 0.97 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
Osugacestat SCHEMBL29412689 0.97 NOTCH1 (0.84) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
SCHEMBL23665996 0.95 NOTCH1 (0.81) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
SCHEMBL25901263 0.94 NOTCH1 (0.88) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ
SCHEMBL22660068 0.93 NOTCH1 (0.83) NOTCH1NOTCH3NOTCH2NOTCH4RBPJ

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 4 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-20210220372-A1 COMPOSITIONS COMPRISING BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS AND METHODS OF USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-22 US disclosed
US-20210040050-A1 COMBINATION COMPOSITIONS COMPRISING BISFLUOROALKYL-1,4- BENZODIAZEPINONE COMPOUNDS AND METHODS OF USE THEREOF AYALA PHARMACEUTICALS INC. (US) 2021-02-11 US disclosed
WO-2021024191-A2 COMBINATION TREATMENTS WITH BENZODIAZEPINONE COMPOUNDS AND PHOSPHOINOSITIDE 3-KINASE PATHWAY INHIBITORS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-11 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 (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-20210220372-A1 COMPOSITIONS COMPRISING BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS AND METHODS OF USE THEREOF CYP2F1, CYP2C19, CYP3A7 NOTCH1 3122/4885NOTCH3 4090/4885NOTCH2 4459/4885
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-20210040050-A1 COMBINATION COMPOSITIONS COMPRISING BISFLUOROALKYL-1,4- BENZODIAZEPINONE COMPOUNDS AND METHODS OF USE THEREOF CYP2C19, CYP2F1, CYP3A7 NOTCH1 3152/4885NOTCH3 4042/4885NOTCH2 4486/4885

“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.