SCHEMBL3304532

SCHEMBL3304532

N#Cc1cccc(-c2cccc3[nH]ccc23)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.44
ASH1L Q9NR48 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
MAPK14 Q16539 4/20 0.40
PIK3CB P42338 2/20 0.40
AHR P35869 1/20 0.40
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
ESR2 Q92731 1/20 0.37
ADORA2A P29274 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PIK3CG P48736 1/20 0.36
DHFR P00374 1/20 0.36
MAPK1 P28482 1/20 0.36
XDH P47989 1/20 0.35
BRD4 O60885 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
SCHEMBL7096071 0.85 IMPDH2 (0.49) PIK3CDASH1LIMPDH2IMPDH1MAPK14
SCHEMBL403956 0.79 IMPDH2 (0.57) PIK3CDIMPDH2IMPDH1AHRMAPK1
SCHEMBL30309353 0.79 IMPDH2 (0.57) PIK3CDIMPDH2IMPDH1AHRMAPK1
SCHEMBL21173600 0.79 ESR2 (0.52) ESR2
SCHEMBL20540332 0.77 PIK3CD (0.64) PIK3CDASH1LMAPK14PIK3CBAHR
SCHEMBL27504679 0.73 PIK3CD (0.51) PIK3CDASH1LIMPDH2IMPDH1MAPK14
SCHEMBL3073580 0.73 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGDHFR
SCHEMBL29709559 0.72 PIK3CD (0.44) PIK3CDASH1LMAPK14PIK3CBAHR
SCHEMBL19608233 0.71 ASH1L (0.57) PIK3CDASH1LMAPK14PIK3CBAHR
SCHEMBL29709511 0.71 ASH1L (0.50) PIK3CDASH1LIMPDH2IMPDH1PIK3CB

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
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 US disclosed
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP disclosed
US-7601738-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20060100237-A1 Excitatory amino acid receptor antagonists ARNOLD MACKLIN B 2006-05-11 US disclosed
US-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 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 (3 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-20040138254-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 PIK3CD 3998/4885ASH1L 3485/4885IMPDH2 1857/4885
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 PIK3CD 3998/4885ASH1L 3485/4885IMPDH2 1857/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 PIK3CD 3998/4885ASH1L 3485/4885IMPDH2 1857/4885

“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.