Sugi Predict

Sugi Predict / Compounds / SCHEMBL5336734

SCHEMBL5336734

SCHEMBL5336734

Cc1cnc(N)c2nc(C)n(CCC[S+]([O-])c3ccccc3)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 6/20 0.37
▸ PI4KA P42356 2/20 0.33
▸ PI4K2B Q8TCG2 2/20 0.33
▸ PI4K2A Q9BTU6 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ ADORA3 P0DMS8 3/20 0.32
▸ ADORA2A P29274 3/20 0.32
▸ ADORA2B P29275 3/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ CSNK2A3 Q8NEV1 1/20 0.32
▸ PDE4B Q07343 1/20 0.31

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
SCHEMBL4793355 0.97 TLR7 (0.37) TLR7PI4KAPI4K2BPI4K2API4KB
SCHEMBL4792447 0.96 TLR7 (0.36) TLR7PI4KAPI4K2BPI4K2API4KB
SCHEMBL4793369 0.89 TLR7 (0.41) TLR7TLR8ADORA3ADORA2AADORA2B
SCHEMBL4793298 0.88 TLR7 (0.33) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4791951 0.87 TLR7 (0.43) TLR7TLR8
SCHEMBL5349273 0.86 TLR7 (0.49) TLR7TLR8
SCHEMBL4791972 0.86 TLR7 (0.43) TLR7TLR8TP53PDE4B
SCHEMBL5339122 0.85 TLR7 (0.42) TLR7TLR8TP53PDE4B
SCHEMBL4793611 0.85 TLR7 (0.40) TLR7TLR8
SCHEMBL4792957 0.84 TLR7 (0.33) TLR7TLR8PIM1CSNK2A2CSNK2B

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 33/4885PI4KA 805/4885PI4K2B 1750/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885PI4KA 2195/4885PI4K2B 3343/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885PI4KA 805/4885PI4K2B 1750/4885

“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.