SCHEMBL5336046

SCHEMBL5336046

Cc1nc(N)c2nc(CC3CC3)n(CCCS(=O)(=O)c3ccc(F)cc3F)c2c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.35
TLR8 Q9NR97 3/20 0.35
PIK3CA P42336 4/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.32
FFAR2 O15552 3/20 0.31
MAPK14 Q16539 1/20 0.30
HASPIN Q8TF76 1/20 0.30
PIK3R1 P27986 1/20 0.30
CA2 P00918 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
SCHEMBL5334227 0.97 TLR7 (0.35) TLR7TLR8PIK3CAALDH1A1MAPT
SCHEMBL4791979 0.97 TLR7 (0.34) TLR7TLR8PIK3CAALDH1A1MAPT
SCHEMBL4793653 0.88 TLR7 (0.40) TLR7TLR8ALDH1A1MAPTHASPIN
SCHEMBL4793081 0.87 PIK3CA (0.34) TLR7TLR8PIK3CAALDH1A1MAPT
SCHEMBL4792938 0.87 TLR7 (0.38) TLR7TLR8
SCHEMBL4792499 0.86 TLR7 (0.43) TLR7TLR8
SCHEMBL4792067 0.86 TLR7 (0.41) TLR7TLR8ALDH1A1MAPTHASPIN
SCHEMBL4792163 0.85 ALDH1A1 (0.34) TLR7PIK3CAALDH1A1MAPTFFAR2
SCHEMBL4791277 0.85 TLR7 (0.41) TLR7TLR8ALDH1A1MAPTHASPIN
SCHEMBL4766892 0.85 PIK3CA (0.34) TLR7TLR8PIK3CAALDH1A1MAPT

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 33/4885TLR8 45/4885PIK3CA 2460/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885PIK3CA 3274/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885PIK3CA 2460/4885

“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.