SCHEMBL1135906

SCHEMBL1135906

COc1cccc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 8/20 0.53
GRIN3B O60391 8/20 0.53
GRIN1 Q05586 8/20 0.53
GRIN2A Q12879 8/20 0.53
GRIN2B Q13224 8/20 0.53
GRIN2C Q14957 8/20 0.53
GRIN3A Q8TCU5 8/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
NQO2 P16083 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
DAO P14920 1/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1303787 0.85 ABCG2 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1135824 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1135619 0.78 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2419187 0.75 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1135596 0.75 ELANE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21676336 0.74 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27489183 0.74 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1135620 0.74 KDM4E (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1135811 0.74 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13982717 0.72 ABCG2 (0.67) MEN1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-8674097-B2 Quinoxalinedione derivatives useful as activators of AMPK-activated protein kinase MERCK PATENT GMBH (DE) 2014-03-18 US 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
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 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 (5 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 GRIN2D 2417/4885GRIN3B 3796/4885GRIN1 2215/4885
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 GRIN2D 711/4885GRIN3B 546/4885GRIN1 555/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 GRIN2D 4382/4885GRIN3B 3751/4885GRIN1 2316/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 GRIN2D 4401/4885GRIN3B 3824/4885GRIN1 2352/4885
US-20120322806-A1 QUINOXALINEDIONE DERIVATIVES GLP1R, GPR119, NDUFS3 GRIN2D 2417/4885GRIN3B 3796/4885GRIN1 2215/4885

“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.