SCHEMBL6579407

SCHEMBL6579407

O=C(O)c1nc2ccccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.63
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
CYP2C19 P33261 5/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP2C9 P11712 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
PDE6D O43924 1/20 0.57
ALDH2 P05091 1/20 0.57
ALDH3A1 P30838 1/20 0.57
CYP1A2 P05177 3/20 0.56

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
SCHEMBL28478190 0.87 ALDH1A1 (0.74) CFTRMAPK1CASP1CASP7CYP2C19
SCHEMBL9107325 0.87 MAPK1 (0.61) CFTRMAPK1CASP1CASP7CYP2C19
SCHEMBL7951628 0.85 L3MBTL1 (0.60) CFTRMAPK1CASP1CASP7CYP2C19
SCHEMBL28410934 0.85 CFTR (0.61) CFTRMAPK1CASP1CASP7CYP2C19
SCHEMBL29847379 0.83 CASP1 (0.57) CFTRMAPK1CASP1CASP7CYP2C19
SCHEMBL6581741 0.83 CASP1 (0.57) CFTRMAPK1CASP1CASP7CYP2C19
SCHEMBL5717623 0.82 ALDH1A1 (0.67) MAPK1CASP1CASP7CYP2C19ALDH1A1
SCHEMBL9103612 0.81 MAPK1 (0.62) MAPK1CASP1CASP7CYP2C19ALDH1A1
SCHEMBL8861179 0.81 ALDH1A1 (0.70) MAPK1CASP1CASP7CYP2C19ALDH1A1
SCHEMBL7829144 0.81 CASP1 (0.55) CFTRMAPK1CASP1CASP7CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
US-6329525-B1 1,2-Dihydro-2-oxoquinoline derivatives TAISHO PHARMACEUTICAL CO., 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 CFTR 1188/4885MAPK1 511/4885CASP1 1160/4885

“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.