SCHEMBL1889112

SCHEMBL1889112

O=c1c(-c2ccncc2)cc(-c2ccccn2)cn1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.65
GRIA3 P42263 1/20 0.65
PDE4D Q08499 1/20 0.65
DYRK1A Q13627 2/20 0.43
GRM5 P41594 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
BRD4 O60885 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDR P35968 1/20 0.39
GRM1 Q13255 1/20 0.38
GSK3B P49841 2/20 0.38
COMT P21964 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL1884948 0.93 GRIA1 (0.70) GRIA1GRIA3PDE4DGRM5BRD4
SCHEMBL1890140 0.91 GRIA1 (0.67) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL1887704 0.89 GRIA1 (0.71) GRIA1GRIA3PDE4DGRM5BRD4
SCHEMBL1888208 0.87 GRIA1 (0.63) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL1885803 0.87 GRIA1 (0.63) GRIA1GRIA3PDE4DGRM5BRD4
SCHEMBL1883011 0.87 GRIA1 (0.63) GRIA1GRIA3PDE4DGRM5BRD4
SCHEMBL1884342 0.87 GRIA1 (0.63) GRIA1GRIA3PDE4DGRM5BRD4
SCHEMBL1880125 0.87 GRIA1 (0.60) GRIA1GRIA3PDE4DGRM5CYP2A6
SCHEMBL1881150 0.87 GRIA1 (0.63) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL1882882 0.86 GRIA1 (0.68) GRIA1GRIA3PDE4DGRM5BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939549-B2 1,2-dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-10 US disclosed
US-7759367-B2 1,2-dihydropiridin-2-one compounds such as 3-(2-cyanophenyl)-1-phenyl-5-(2-pyridyl)-1,2-dihydropyridin-2-one, used as immunomodulators or antiinflammatory agents, and for the prevention or treatment of neurodegenerative diseases, such as demyelinating disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-20 US disclosed
EP-2177520-A1 1,5-Di(aryl or heteroaryl)-3-halo-2(1H)-pyridones as intermediates for the preparation of AMPA receptor inhibitors Eisai R&D Management Co., Ltd. (JP) 2010-04-21 EP disclosed
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF NAGATO SATOSHI 2009-11-05 US disclosed
US-7563811-B2 1,2-dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-21 US disclosed
EP-2053041-A2 1,3,5-Trisubstituted 2(1H)-pyridones as AMPA receptor inhibitors useful for the treatment of eg Parkinson's disease Eisai R&D Management Co., Ltd. (JP) 2009-04-29 EP disclosed
EP-1300396-B1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-01-14 EP disclosed
EP-1465626-B1 PHARMACEUTICAL COMPOSITIONS (KIT) COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY (OR AN ANTIINFLAMMATORY) AGENT AND THEIR USES EISAI R&D MAN CO LTD (JP) 2008-09-03 EP disclosed
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-6949571-B2 1,2-dihydropyridine compounds, process for preparation of the same and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040023973-A1 1,2-Dihydropyridine compounds, process for preparation of the same and use thereof CATALYST PHARMACEUTICALS, INC. 2004-02-05 US disclosed
EP-1300396-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Eisai Co., Ltd. (JP) 2003-04-09 EP 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 (4 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-20040023973-A1 1,2-Dihydropyridine compounds, process for preparation of the same and use thereof GRIK1, GRIK2, GRIK4 GRIA1 14/4885GRIA3 58/4885PDE4D 2584/4885
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof GRIK1, GRIK2, GRIK5 GRIA1 24/4885GRIA3 46/4885PDE4D 1607/4885
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses QDPR, PMP22, MAG GRIA1 449/4885GRIA3 663/4885PDE4D 679/4885
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF GRIK1, GRIK2, GRIK5 GRIA1 20/4885GRIA3 28/4885PDE4D 1415/4885

“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.