SCHEMBL14740853

SCHEMBL14740853

COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2ccnnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
ATR Q13535 1/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
MDH1 P40925 1/20 0.36
MDH2 P40926 1/20 0.36
LCK P06239 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTB4R Q15722 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL14740844 0.91 MEN1 (0.43) CYP17A1MAPTPOLBL3MBTL1NAMPT
SCHEMBL14740770 0.86 KCNQ4 (0.44) CYP17A1ALDH1A1MAPTL3MBTL1NAMPT
SCHEMBL14740804 0.86 MEN1 (0.40) CYP17A1ATRALDH1A1KDM4EHPGD
SCHEMBL14740849 0.86 AAK1 (0.39) CYP17A1NAMPT
SCHEMBL14740774 0.86 CYP17A1 (0.39) CYP17A1ATRPOLBNAMPTATM
SCHEMBL14740837 0.86 CYP17A1 (0.39) CYP17A1ATRALDH1A1POLBNAMPT
SCHEMBL14740813 0.84 CCR2 (0.47) CYP17A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16318447 0.82 KDM4E (0.52) CYP17A1ATRALDH1A1KDM4EHPGD
SCHEMBL29446494 0.77 CYP17A1 (0.38) CYP17A1ATRPOLBATMMEN1
SCHEMBL17336569 0.77 CYP17A1 (0.38) CYP17A1ATRPOLBATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 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-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 CYP17A1 2113/4885ATR 1722/4885ALDH1A1 2319/4885

“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.