SCHEMBL20765261

SCHEMBL20765261

COc1ccc(-c2ccccc2)c2ncc(N)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.46
FEN1 P39748 3/20 0.46
ADORA1 P30542 2/20 0.45
NQO2 P16083 2/20 0.45
MET P08581 1/20 0.43
MCHR1 Q99705 1/20 0.43
ADORA2A P29274 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
KMT2A Q03164 1/20 0.41
FYN P06241 2/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
IDO1 P14902 2/20 0.39

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
SCHEMBL20764957 0.87 PDE4D (0.42) ADORA1NQO2MCHR1ADORA2APDGFRB
SCHEMBL20765242 0.86 NPC1 (0.51) SMN1; SMN2PDGFRBPDGFRA
SCHEMBL22634416 0.86 FYN (0.49) ALOX5APFEN1ADORA1MCHR1ADORA2A
SCHEMBL22634327 0.86 P2RX3 (0.44) ALOX5APFEN1METMCHR1P2RX3
SCHEMBL22634332 0.84 FYN (0.49) ALOX5APFEN1ADORA1MCHR1FYN
SCHEMBL22634432 0.83 NQO2 (0.42) ALOX5APFEN1NQO2MCHR1ADORA2A
SCHEMBL22634408 0.82 ALOX5AP (0.45) ALOX5APFEN1NQO2MCHR1IDO1
SCHEMBL22634400 0.82 SMN1; SMN2 (0.44) NQO2MCHR1ADORA2AKMT2AMAPT
SCHEMBL20765238 0.79 ADORA1 (0.45) ADORA1MCHR1ADORA2AP2RX3P2RX2
SCHEMBL30439469 0.79 MAPT (0.48) ALOX5APFEN1ADORA1METADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-12-07 US claimed
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-11-12 US claimed
CN-110944994-A Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2020-03-31 CN claimed
EP-3672951-B1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-08-30 EP disclosed
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-12-07 US 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
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 ALOX5AP 1071/4885FEN1 447/4885ADORA1 2/4885
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists ADORA2A, ADORA1, P2RY1 ALOX5AP 1071/4885FEN1 447/4885ADORA1 2/4885

“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.