SCHEMBL6581741

SCHEMBL6581741

CCOC(=O)c1nc2ccccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
MAPK1 P28482 1/20 0.57
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
CFTR P13569 2/20 0.54
OPRM1 P35372 3/20 0.53
OPRK1 P41145 3/20 0.53
OGFRL1 Q5TC84 3/20 0.53
OPRD1 P41143 2/20 0.53
TNF P01375 1/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL29847379 1.00 CASP1 (0.57) CASP1CASP7MAPK1PDE4APDE4B
SCHEMBL7829144 0.98 CASP1 (0.55) CASP1CASP7MAPK1PDE4APDE4B
SCHEMBL2783456 0.88 MAPK1 (0.56) CASP1CASP7MAPK1CYP2C19CYP1A2
SCHEMBL28410934 0.88 CFTR (0.61) CASP1CASP7MAPK1PDE4APDE4B
SCHEMBL3012671 0.84 MAPK1 (0.55) CASP1CASP7MAPK1CYP2C19CYP1A2
SCHEMBL6579407 0.83 CFTR (0.63) CASP1CASP7MAPK1PDE4APDE4B
SCHEMBL2783060 0.82 ALDH1A1 (0.54) CASP1CASP7MAPK1CYP2C19CYP1A2
SCHEMBL2783434 0.81 OGFRL1 (0.48) CASP1CASP7MAPK1OPRM1OPRK1
SCHEMBL2783058 0.81 OGFRL1 (0.56) CASP1CASP7MAPK1OPRM1OPRK1
SCHEMBL7951628 0.80 L3MBTL1 (0.60) CASP1CASP7MAPK1PDE4APDE4B

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
CN-113024475-B Synthetic method of quinoxalinone compound 宁夏大学 2022-08-09 CN claimed
CN-113024475-B Synthetic method of quinoxalinone compound 宁夏大学 2022-08-09 CN disclosed
CN-113024475-A Synthetic method of quinoxalinone compound 宁夏大学 2021-06-25 CN disclosed
EP-1048655-B1 1,2-DIHYDRO-2-OXOQUINOLINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-09-01 EP disclosed
US-6380384-B1 ANXIOLYTIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-30 US disclosed
US-20020049323-A1 1,2-Dihydro-2-oxoquinoline derivatives NAKAZATO ATSURO (JP) 2002-04-25 US disclosed
US-6329525-B1 1,2-Dihydro-2-oxoquinoline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-12-11 US disclosed
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
EP-1048655-A1 1,2-DIHYDRO-2-OXOQUINOLINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-11-02 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 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 (1 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-20020049323-A1 1,2-Dihydro-2-oxoquinoline derivatives NR5A1, SRD5A1, SRD5A2 CASP1 1160/4885CASP7 2260/4885MAPK1 511/4885

“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.