SCHEMBL5337200

SCHEMBL5337200

CCc1nc2c(N)ncc(C)c2n1CCCCCS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.38
CA2 P00918 2/20 0.34
HASPIN Q8TF76 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 1/20 0.32
TLR8 Q9NR97 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
PIK3CA P42336 2/20 0.31
KMT2A Q03164 1/20 0.31
HTR6 P50406 1/20 0.30
KDM2B Q8NHM5 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
SCHEMBL4791320 0.99 TLR7 (0.39) TLR7CA2HASPINALOX5APFEN1
SCHEMBL4791751 0.96 TLR7 (0.37) TLR7CA2HASPINALOX5APTLR8
SCHEMBL5343016 0.93 TLR7 (0.36) TLR7CA2HASPINALOX5APFEN1
SCHEMBL4790933 0.92 TLR7 (0.41) TLR7ALOX5APFEN1TLR8
SCHEMBL4790566 0.92 TLR7 (0.36) TLR7CA2HASPINALOX5APFEN1
SCHEMBL4793675 0.91 TLR7 (0.42) TLR7TLR8
SCHEMBL4793247 0.91 TLR8 (0.37) TLR7CA2ALOX5APFEN1TLR8
SCHEMBL5341814 0.90 CA2 (0.36) CA2HASPINALOX5APFEN1ALDH1A1
SCHEMBL4790600 0.90 TLR8 (0.37) TLR7CA2TLR8
SCHEMBL5333918 0.89 TLR7 (0.35) TLR7CA2ALOX5APTLR8ALDH1A1

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 33/4885CA2 4028/4885HASPIN 993/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885CA2 3778/4885HASPIN 829/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885CA2 4028/4885HASPIN 993/4885

“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.