SCHEMBL1128615

SCHEMBL1128615

Nc1nc2ccccc2nc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
HSD17B10 Q99714 3/20 0.67
GAA P10253 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
PDPK1 O15530 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NUDT1 P36639 1/20 0.44
TDP1 Q9NUW8 4/20 0.43

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
SCHEMBL503252 0.81 MAPT (1.00) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29444102 0.81 MAPT (1.00) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1128076 0.81 MAPT (0.62) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29948882 0.81 MAPT (0.62) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8002675 0.72 MAPT (0.70) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7237225 0.71 GLP1R (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30939014 0.70 ALDH1A1 (0.67) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3216083 0.70 MAPT (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31193292 0.70 TDP1 (0.54) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3085978 0.70 TDP1 (0.67) MAPTKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
EP-2282999-B1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-05-21 EP disclosed
EP-2282999-B1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-05-21 EP disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
EP-2282999-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS Schering Corporation (US) 2011-02-16 EP disclosed
WO-2009111442-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2009-09-11 WO disclosed
WO-2009111442-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2009-09-11 WO disclosed
US-6548499-B1 N-(1-Azabicyclo(2.2.2)octanyl-3-pyridinyl)-3-(2-pyridinyl)-2 -quinoxalinamine, for example; treating various chemokine mediated diseases MILLENNIUM PHARMACEUTICALS, INC. 2003-04-15 US disclosed
WO-1999042463-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-08-26 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-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 MAPT 3548/4885KDM4E 3727/4885ALDH1A1 855/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C MAPT 21/4885KDM4E 3316/4885ALDH1A1 145/4885

“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.