SCHEMBL4794008

SCHEMBL4794008

Cc1cnc(N)c2nc(CC3CC3)n(CCCSc3ncccn3)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.37
TLR8 Q9NR97 3/20 0.37
ALDH1A1 P00352 1/20 0.35
GRIN2B Q13224 3/20 0.33
GRIN2A Q12879 1/20 0.33
AHCY P23526 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM1A O60341 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL5341382 0.97 TLR7 (0.37) TLR7TLR8ALDH1A1GRIN2BGRIN2A
SCHEMBL4874537 0.96 TLR7 (0.36) TLR7TLR8ALDH1A1GRIN2BGRIN2A
SCHEMBL5332929 0.87 TLR7 (0.43) TLR7TLR8ALDH1A1GRIN2BGRIN2A
SCHEMBL4792503 0.86 TLR7 (0.36) TLR7TLR8ALDH1A1SMN1; SMN2MEN1
SCHEMBL4791953 0.86 TLR7 (0.38) TLR7TLR8AHCY
SCHEMBL4794818 0.86 TLR7 (0.39) TLR7TLR8ALDH1A1GRIN2BGRIN2A
SCHEMBL4791950 0.85 TLR7 (0.38) TLR7TLR8ALDH1A1SMN1; SMN2MEN1
SCHEMBL4794107 0.84 TLR7 (0.42) TLR7TLR8ALDH1A1GRIN2BGRIN2A
SCHEMBL4873478 0.84 TLR7 (0.44) TLR7TLR8SMN1; SMN2
SCHEMBL5336092 0.84 TLR7 (0.36) TLR7TLR8AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885ALDH1A1 1803/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885ALDH1A1 940/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885ALDH1A1 1803/4885

“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.