Quinoxaline

Quinoxaline

SCHEMBL4000710

N.c1ccc2nccnc2c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.47
NCF1 P14598 1/20 0.46
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
METAP1 P53582 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
DOHH Q9BU89 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
Quinoxaline SCHEMBL11665681 1.00 ALDH1A1 (0.55) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL27863276 0.97 ALDH1A1 (0.52) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL6928518 0.96 ALDH1A1 (0.58) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL5315 0.96 ALDH1A1 (0.58) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL30320908 0.96 ALDH1A1 (0.58) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL29355228 0.96 ALDH1A1 (0.58) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL2431603 0.93 ALDH1A1 (0.55) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL19877228 0.93 ALDH1A1 (0.55) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL20610240 0.93 ALDH1A1 (0.55) ALDH1A1MAPTNCF1KDM4EPOLB
Quinoxaline SCHEMBL16053848 0.93 ALDH1A1 (0.55) ALDH1A1MAPTNCF1KDM4EPOLB

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
CN-112552313-B Fused ring quinoxalinyl non-fullerene acceptor material and preparation method and application thereof 华南理工大学 2022-03-29 CN claimed
CN-112552313-A Fused ring quinoxalinyl non-fullerene acceptor material and preparation method and application thereof 华南理工大学 2021-03-26 CN claimed
CN-1966500-A Quinoxaline derivative, preparation method and uses SHANGHAI INST MATERIA MEDICA (CN) 2007-05-23 CN claimed
US-12115158-B2 Survivin-targeting anti-tumor agents and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2024-10-15 US disclosed
CN-112552313-B Fused ring quinoxalinyl non-fullerene acceptor material and preparation method and application thereof 华南理工大学 2022-03-29 CN disclosed
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-30 US disclosed
CN-112552313-A Fused ring quinoxalinyl non-fullerene acceptor material and preparation method and application thereof 华南理工大学 2021-03-26 CN disclosed
CN-108148064-B Method for preparing pyrazole quinoxalinone derivative 浙江百斯特化工有限公司 2020-06-26 CN disclosed
CN-108017640-A A kind of novel quinoxaline class organic molecule and preparation method thereof 南京科技职业学院 2018-05-11 CN disclosed
CN-107311945-A Thiosemicarbazones part and preparation method thereof, thiosemicarbazones metal complex and preparation method thereof 河南理工大学 2017-11-03 CN disclosed
CN-101878554-B Oled device employing alkali metal cluster compounds GLOBAL OLED TECHNOLOGY LLC 2012-07-25 CN disclosed
CN-1966500-B Quinoxaline derivative, preparation method and uses SHANGHAI INST MATERIA MEDICA 2011-03-30 CN disclosed
CN-101878554-A Oled device employing alkali metal cluster compounds EASTMAN KODAK CO 2010-11-03 CN disclosed
US-7501416-B2 Quinoxaline compounds and methods of using them BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
WO-2008015423-A1 QUINOLINE AND QUINOXALINE N-OXIDES AS CHK-1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2008-02-07 WO disclosed
CN-1966500-A Quinoxaline derivative, preparation method and uses SHANGHAI INST MATERIA MEDICA (CN) 2007-05-23 CN disclosed
WO-2005077920-A1 QUINOXALINE COMPOUNDS AND METHODS OF USING THEM BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-25 WO disclosed
US-20050176717-A1 Quinoxaline compounds and methods of using them BRISTOL-MYERS SQUIBB COMPANY 2005-08-11 US 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 (3 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-20050176717-A1 Quinoxaline compounds and methods of using them NQO1, NQO2, SDHA ALDH1A1 602/4885MAPT 3545/4885NCF1 1293/4885
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF XIAP, BIRC5, TP53 ALDH1A1 2712/4885MAPT 3150/4885NCF1 1073/4885
US-12115158-B2 Survivin-targeting anti-tumor agents and uses thereof XIAP, BIRC5, TP53 ALDH1A1 2712/4885MAPT 3150/4885NCF1 1073/4885

“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.