SCHEMBL17030705

SCHEMBL17030705

COc1cccc2c1NC(=O)C(N)N=C2c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 10/20 0.47
NOTCH3 Q9UM47 6/20 0.47
RBPJ Q06330 4/20 0.43
STK10 O94804 2/20 0.39
SLK Q9H2G2 2/20 0.39
FYN P06241 2/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
AHR P35869 1/20 0.39
MAPK10 P53779 1/20 0.39
PDE4B Q07343 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL15608316 0.89 NOTCH1 (0.55) NOTCH1NOTCH3RBPJALDH1A1HPGD
SCHEMBL15622403 0.88 NOTCH1 (0.49) NOTCH1NOTCH3RBPJALDH1A1
SCHEMBL15622381 0.88 NOTCH1 (0.49) NOTCH1NOTCH3RBPJALDH1A1
SCHEMBL15608340 0.88 NOTCH1 (0.56) NOTCH1NOTCH3RBPJSTK10SLK
SCHEMBL18174929 0.87 NOTCH1 (0.48) NOTCH1NOTCH3RBPJSTK10SLK
SCHEMBL17030701 0.87 NOTCH1 (0.46) NOTCH1NOTCH3RBPJCREBBP
SCHEMBL15622374 0.86 NOTCH1 (0.51) NOTCH1NOTCH3RBPJMAPK10
SCHEMBL15608509 0.85 NOTCH1 (0.54) NOTCH1NOTCH3RBPJ
SCHEMBL15608508 0.85 NOTCH1 (0.54) NOTCH1NOTCH3RBPJ
SCHEMBL17030708 0.84 NOTCH1 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 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 (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-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 NOTCH1 61/4885NOTCH3 34/4885RBPJ 190/4885

“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.