SCHEMBL1945262

SCHEMBL1945262

COc1cccc2c1n(C)c(=O)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
NQO2 P16083 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DAO P14920 1/20 0.42

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
SCHEMBL13355126 0.85 CYP19A1 (0.50) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL13322651 0.75 CYP19A1 (0.44) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL6578753 0.74 CYP19A1 (0.58) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL1135841 0.73 DAO (0.50) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL434941 0.73 CYP19A1 (0.56) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL1135497 0.73 DAO (0.56) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL31426151 0.73 NQO2 (0.53) CYP19A1NQO2ALDH1A1KDM4EMAPT
SCHEMBL22271826 0.73 CYP19A1 (0.60) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL28691180 0.73 KDM4E (0.63) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL1135509 0.73 CYP19A1 (0.45) CYP19A1NQO2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285786-B1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP claimed
US-8329698-B2 Quinoxalinedione derivatives which are activators of AMPK-activated protein kinase MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 US claimed
US-20110130404-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-02 US claimed
US-8674097-B2 Quinoxalinedione derivatives useful as activators of AMPK-activated protein kinase MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
EP-2285786-B1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
US-20120322806-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-20 US disclosed
US-8329698-B2 Quinoxalinedione derivatives which are activators of AMPK-activated protein kinase MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 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 (2 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-20110130404-A1 QUINOXALINEDIONE DERIVATIVES GLP1R, GPR119, NDUFS3 CYP19A1 213/4885NQO2 7/4885ALDH1A1 829/4885
US-20120322806-A1 QUINOXALINEDIONE DERIVATIVES GLP1R, GPR119, NDUFS3 CYP19A1 213/4885NQO2 7/4885ALDH1A1 829/4885

“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.