SCHEMBL5335332

SCHEMBL5335332

CCOCc1nc2c(N)nc(C)cc2n1CCOCCCN1CCCS1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.39
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
TLR7 Q9NYK1 10/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
TLR9 Q9NR96 1/20 0.30
NUDT1 P36639 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5347925 0.92 ADORA2A (0.33) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL5333418 0.90 TLR7 (0.33) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL5335344 0.90 TLR8 (0.39) TLR8TLR7NUDT1LMNARAB9A
SCHEMBL4792467 0.90 TLR7 (0.38) TLR8TLR7
SCHEMBL5333615 0.88 TLR7 (0.34) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL5339799 0.88 TLR8 (0.33) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL4794042 0.87 ADORA2A (0.34) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL4793790 0.86 TLR7 (0.31) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL4792281 0.83 TLR8 (0.43) TLR8TLR7NUDT1
SCHEMBL5333647 0.82 TLR9 (0.34) TLR8ADORA2AADORA2BADORA1TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 TLR8 45/4885ADORA2A 3784/4885ADORA2B 4202/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR8 91/4885ADORA2A 3607/4885ADORA2B 4188/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR8 45/4885ADORA2A 3784/4885ADORA2B 4202/4885

“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.