SCHEMBL1884283

SCHEMBL1884283

O=c1c(-c2ccccc2Cl)cc(-c2nc3cc(C(F)(F)F)ccc3s2)cn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.44
ILK Q13418 2/20 0.40
G6PD P11413 1/20 0.39
TLR9 Q9NR96 1/20 0.39
AKR1B1 P15121 6/20 0.38
AKR1A1 P14550 3/20 0.38
AKR1B10 O60218 1/20 0.38
GLO1 Q04760 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
PDE4D Q08499 1/20 0.38
HSD11B1 P28845 1/20 0.36
DYRK1A Q13627 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL1888174 0.87 KDM4E (0.45) GRIA1GRIA3PDE4D
SCHEMBL1885251 0.81 GRIA1 (0.51) AGPAT2ILKG6PDTLR9AKR1B1
SCHEMBL6691852 0.78 AGPAT2 (0.44) AGPAT2ILKAKR1B1AKR1A1AKR1B10
SCHEMBL1884490 0.77 KDM4E (0.47) GRIA1GRIA3PDE4D
SCHEMBL2138665 0.73 ILK (0.54) AGPAT2ILKDYRK1A
SCHEMBL6691854 0.72 AGPAT2 (0.46) AGPAT2ILKAKR1B1AKR1A1AKR1B10
SCHEMBL1882156 0.70 GRIA1 (0.69) GRIA1GRIA3PDE4D
SCHEMBL1881778 0.68 TP53 (0.51) AGPAT2GRIA1GRIA3PDE4D
SCHEMBL11011940 0.68 ILK (0.52) AGPAT2ILKAKR1B1AKR1A1AKR1B10
SCHEMBL12470403 0.67 ILK (0.56) AGPAT2ILKDYRK1A

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 AGPAT2 4127/4885ILK 4488/4885G6PD 1682/4885
US-20050245581-A1 1, 2-Dihydropyridine compounds, manufacturing method thereof and use thereof GRIK1, GRIK2, GRIK5 AGPAT2 4437/4885ILK 3965/4885G6PD 2217/4885
US-20060100249-A1 Pharmaceutical compositions comprising dihydropyridinone compounds and an immunoregulatory or an antiinflammatory agent and their uses QDPR, PMP22, MAG AGPAT2 2780/4885ILK 4023/4885G6PD 411/4885
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF GRIK1, GRIK2, GRIK5 AGPAT2 4179/4885ILK 4102/4885G6PD 1905/4885

“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.