SCHEMBL4790756

SCHEMBL4790756

CCOCc1nc2c(N)ncc(C)c2n1CCCCS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.43
TLR8 Q9NR97 11/20 0.43
HSP90B1 P14625 2/20 0.38
SLC40A1 Q9NP59 1/20 0.35
NUDT1 P36639 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4791997 0.99 TLR7 (0.42) TLR7TLR8HSP90B1SLC40A1NUDT1
SCHEMBL4794286 0.97 TLR7 (0.43) TLR7TLR8HSP90B1SLC40A1NUDT1
SCHEMBL4791636 0.91 HSP90B1 (0.41) TLR7TLR8HSP90B1SLC40A1ALDH1A1
SCHEMBL4793476 0.90 HSP90B1 (0.40) TLR7TLR8HSP90B1SLC40A1ALDH1A1
SCHEMBL5348326 0.89 HSP90B1 (0.40) TLR7TLR8HSP90B1SLC40A1ALDH1A1
SCHEMBL5336979 0.88 TLR7 (0.43) TLR7TLR8HSP90B1
SCHEMBL5341324 0.88 HSP90B1 (0.39) TLR7TLR8HSP90B1SLC40A1ALDH1A1
SCHEMBL5339370 0.88 HSP90B1 (0.41) TLR7TLR8HSP90B1SLC40A1ALDH1A1
SCHEMBL4790962 0.87 TLR7 (0.45) TLR7TLR8HSP90B1NUDT1ALDH1A1
SCHEMBL4793984 0.87 TLR7 (0.42) TLR7TLR8HSP90B1

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 45/4885HSP90B1 757/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885HSP90B1 403/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885HSP90B1 757/4885

“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.