SCHEMBL20764951

SCHEMBL20764951

COc1ncc(-c2ccccc2)c(N)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CASP1 P29466 1/20 0.46
HPRT1 P00492 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MGMT P16455 1/20 0.39
ALDH1A1 P00352 2/20 0.38
STAT1 P42224 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 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
SCHEMBL30439186 0.79 MAPT (0.56) MAPTCASP1NPC1RAB9ASMN1; SMN2
SCHEMBL20764961 0.79 MAPT (0.56) MAPTCASP1NPC1RAB9ASMN1; SMN2
SCHEMBL20764944 0.75 CA1 (0.39) MAPTNPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL2404284 0.74 ALDH1A1 (0.49) MAPTCASP1NPC1RAB9ACYP1A2
SCHEMBL28259828 0.72 HPRT1 (0.47) MAPTHPRT1CYP1A2CYP3A4CYP2C19
SCHEMBL27458439 0.69 ALDH1A1 (0.47) MAPTHPRT1NPC1RAB9ACYP1A2
SCHEMBL16937118 0.68 TDP1 (0.55) MAPTHPRT1RAB9AALDH1A1POLB
SCHEMBL30139580 0.68 TDP1 (0.55) MAPTHPRT1RAB9AALDH1A1POLB
SCHEMBL30622686 0.68 MEN1 (0.45) MAPTSMN1; SMN2MGMTALDH1A1L3MBTL1
SCHEMBL1959760 0.68 MEN1 (0.45) MAPTSMN1; SMN2MGMTALDH1A1L3MBTL1

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 MAPT 4830/4885CASP1 2352/4885HPRT1 41/4885
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists ADORA2A, ADORA1, P2RY1 MAPT 4830/4885CASP1 2352/4885HPRT1 41/4885

“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.