SCHEMBL4793100

SCHEMBL4793100

CCCC[S+]([O-])CCCCn1c(C)nc2c(N)ncc(C)c21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CSNK2A1 P68400 2/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
PDE4B Q07343 2/20 0.32
CDK9 P50750 1/20 0.30
DYRK1A Q13627 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
SCHEMBL4793377 0.99 TLR8 (0.34) TLR8ADORA2AADORA2BADORA1CSNK2A1
SCHEMBL4791256 0.96 ADORA2A (0.36) TLR8ADORA2AADORA2BADORA1CSNK2A1
SCHEMBL5342727 0.89 TLR7 (0.37) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL4792465 0.88 TLR7 (0.41) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL4790913 0.88 TLR7 (0.45) TLR8TLR7
SCHEMBL4792330 0.88 TLR7 (0.39) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL4794161 0.87 CSNK2A1 (0.35) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL4793004 0.87 TLR7 (0.42) TLR8ADORA2AADORA2BADORA1TLR7
SCHEMBL4793621 0.87 TLR7 (0.47) TLR8TLR7
SCHEMBL4792673 0.86 CSNK2A1 (0.34) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3

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 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.