SCHEMBL1740686

SCHEMBL1740686

CN1C(=O)[C@H](N(C(=O)O)C(C)(C)C)CNc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.43
RIPK1 Q13546 2/20 0.42
SCN9A Q15858 1/20 0.40
BRD4 O60885 1/20 0.37
XIAP P98170 2/20 0.35
CCKBR P32239 2/20 0.33
EGFR P00533 1/20 0.33
HSD17B3 P37058 1/20 0.33
EPHX2 P34913 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31

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
SCHEMBL2236989 1.00 BRPF1 (0.43) BRPF1RIPK1SCN9ABRD4XIAP
SCHEMBL2236994 1.00 BRPF1 (0.43) BRPF1RIPK1SCN9ABRD4XIAP
SCHEMBL9990245 0.84 PDE4D (0.34) RIPK1PYGLPYGM
SCHEMBL9990618 0.84 PYGL (0.33) RIPK1SCN9APYGLPYGM
SCHEMBL9989395 0.84 PDE4D (0.36) RIPK1BRD4PYGLPYGM
SCHEMBL21776195 0.79 SCN9A (0.49) BRPF1RIPK1SCN9ABRD4XIAP
SCHEMBL17312786 0.79 RIPK1 (0.39) RIPK1SCN9ABRD4CCKBREGFR
SCHEMBL2235808 0.79 RIPK1 (0.39) RIPK1SCN9ABRD4CCKBREGFR
SCHEMBL17312584 0.77 RIPK1 (0.39) BRPF1RIPK1EPHX2MEN1KMT2A
SCHEMBL17312583 0.77 RIPK1 (0.39) BRPF1RIPK1EPHX2MEN1KMT2A

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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-29 US disclosed
EP-2389366-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-11-30 EP disclosed
US-8040502-B2 Optical inspection of flat media using direct image technology WDI WISE DEVICE INC. (CA) 2011-10-18 US disclosed
WO-2010084979-A1 BENZODIAZEPIN-2-ON DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-07-29 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 (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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, GRIN1 BRPF1 2219/4885RIPK1 3797/4885SCN9A 1526/4885

“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.