SCHEMBL5336582

SCHEMBL5336582

COCCc1nc2c(N)nc(C)cc2n1CCOCCN(C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4795198 0.91 TLR7 (0.33) TLR7SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL5347653 0.90 TLR7 (0.33) TLR7SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL4792348 0.87 BRD4 (0.32) CNR2
SCHEMBL5338119 0.85 TLR8 (0.33) TLR7ADORA2AADORA2BADORA1CNR2
SCHEMBL5333157 0.83 TLR7 (0.35) TLR7SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL4791345 0.83 ALDH1A1 (0.40)
SCHEMBL5336578 0.82 ADORA2A (0.31) ADORA2AADORA2BADORA1
SCHEMBL4794138 0.81 TLR7 (0.34) TLR7SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL4793547 0.79 TLR7 (0.35) TLR7SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL4792343 0.79 ADORA2A (0.30) ADORA2AADORA2BADORA1

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 TLR7 33/4885SMN1; SMN2 2887/4885ADORA2A 3784/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885SMN1; SMN2 4130/4885ADORA2A 3607/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885SMN1; SMN2 2887/4885ADORA2A 3784/4885

“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.