SCHEMBL558709

SCHEMBL558709

COc1ccc2[nH]c(=O)cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.58
RPS6KA3 P51812 1/20 0.58
CSNK2A1 P68400 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 3/20 0.46
GFER P55789 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL30637066 0.87 MMP12 (0.56) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL558123 0.87 MMP12 (0.56) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL14331599 0.80 MAPKAPK2 (0.54) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL2619271 0.77 RPS6KA3 (0.64) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL9702909 0.77 SLC2A1 (0.55) ALDH1A1KDM4EPOLBGAAPDE3B
SCHEMBL707153 0.76 GRIN2D (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL14816206 0.75 PDE3B (0.57) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL9370975 0.74 PDE3B (0.55) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL706811 0.74 MAPKAPK2 (0.64) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL782851 0.74 RPS6KA3 (0.64) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115233244-B Method for electrochemically synthesizing 3-hydroxyalkyl quinoxaline-2 (1H) -ketone compound 桂林医学院 2024-12-27 CN disclosed
CN-115197155-B 2-quinoxaline sulfonate compound and synthetic method thereof 宝鸡文理学院 2023-10-24 CN disclosed
WO-2023125812-A1 SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2023-07-06 WO disclosed
CN-115197155-A 2-quinoxaline sulfonate compound and synthesis method thereof 宝鸡文理学院 2022-10-18 CN disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MAPKAPK2 2075/4885RPS6KA3 1608/4885CSNK2A1 610/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ MAPKAPK2 3756/4885RPS6KA3 1519/4885CSNK2A1 4457/4885

“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.