SCHEMBL20764944

SCHEMBL20764944

COc1ncc(Br)c(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 6/20 0.36
KDM4E B2RXH2 2/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 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
SCHEMBL789642 0.82 GRIN2D (0.38) CA1CA2CA7CA13MEN1
SCHEMBL16475125 0.81 KDM4E (0.37) CA1CA2CA7CA13MEN1
SCHEMBL20764951 0.75 MAPT (0.46) CA1CA2CA7CA13MEN1
SCHEMBL2401652 0.75 CA1 (0.38) CA1CA2CA7CA13MAPT
SCHEMBL21411446 0.74 MAPT (0.42) MEN1KMT2AMAPTKDM4EG6PD
SCHEMBL2068719 0.73 MEN1 (0.45) CA1CA2CA7CA13MEN1
SCHEMBL14853026 0.73 MAPT (0.39) CA2MEN1KMT2AMAPTKDM4E
SCHEMBL15067601 0.73 MAPT (0.49) CA1CA2CA7CA13MEN1
SCHEMBL17755651 0.73 CA1 (0.39) CA1CA2CA7CA13MEN1
SCHEMBL12033232 0.73 MAPT (0.49) CA1CA2CA7CA13MEN1

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-3672951-B1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-08-30 EP disclosed
CN-110944994-B Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2023-06-09 CN disclosed
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-12-07 US disclosed
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-11-12 US disclosed
EP-3672951-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP disclosed
CN-110944994-A Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2020-03-31 CN disclosed
WO-2019038214-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 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-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA1, P2RY1 CA1 4865/4885CA2 3114/4885CA7 4595/4885
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists ADORA2A, ADORA1, P2RY1 CA1 4865/4885CA2 3114/4885CA7 4595/4885

“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.