SCHEMBL1135752

SCHEMBL1135752

Cn1c(=O)c(=O)[nH]c2cccc(O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 9/20 0.42
DDO Q99489 5/20 0.42
AURKA O14965 1/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
MAPT P10636 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL13015488 0.82 DAO (0.50) DAODDOAURKAMAPTADORA3
SCHEMBL29502192 0.82 DAO (0.50) DAODDOAURKAMAPTADORA3
SCHEMBL7330649 0.81 DAO (0.53) DAODDOGRIA1GRIA2GRIA3
SCHEMBL10503087 0.79 PSMB8 (0.60) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL20571788 0.77 GRIA1 (0.38) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL1135509 0.77 CYP19A1 (0.45) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL7319991 0.76 KIF11 (0.38) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL1135870 0.72 DAO (0.45) DAODDOAURKAGRIA1GRIA2
SCHEMBL1135841 0.71 DAO (0.50) DAOMAPTADORA2AKDM4EALDH1A1
SCHEMBL29580191 0.71 PSMB8 (0.55) DAOGRIA1GRIA2GRIA3GRIA4

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 13 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
JP-2011524384-A 2011-09-01 JP claimed
US-20110130404-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-02 US claimed
EP-2285786-A1 QUINOXALINEDIONE DERIVATIVES Merck Patent GmbH (DE) 2011-02-23 EP claimed
WO-2009152909-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-23 WO 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
US-20110130404-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-02 US disclosed
EP-2285786-A1 QUINOXALINEDIONE DERIVATIVES Merck Patent GmbH (DE) 2011-02-23 EP disclosed
WO-2009152909-A1 QUINOXALINEDIONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-23 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 (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 DAO 2101/4885DDO 1438/4885AURKA 3251/4885
US-20120322806-A1 QUINOXALINEDIONE DERIVATIVES GLP1R, GPR119, NDUFS3 DAO 2101/4885DDO 1438/4885AURKA 3251/4885

“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.