SCHEMBL4766892

SCHEMBL4766892

Cc1cnc(N)c2nc(CC3CC3)n(CCCCS(=O)(=O)c3ccc(F)cc3F)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.34
TLR7 Q9NYK1 4/20 0.33
TLR8 Q9NR97 3/20 0.33
CA2 P00918 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK14 Q16539 1/20 0.31
CNR2 P34972 1/20 0.31
HASPIN Q8TF76 1/20 0.31
PIK3R1 P27986 1/20 0.31
FFAR2 O15552 1/20 0.30
MTOR P42345 1/20 0.30
PIK3C3 Q8NEB9 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
SCHEMBL5337555 0.99 PIK3CA (0.33) PIK3CATLR7TLR8CA2ALDH1A1
SCHEMBL4793081 0.97 PIK3CA (0.34) PIK3CATLR7TLR8CA2ALDH1A1
SCHEMBL4791320 0.89 TLR7 (0.39) PIK3CATLR7TLR8CA2ALDH1A1
SCHEMBL5337200 0.88 TLR7 (0.38) PIK3CATLR7TLR8CA2ALDH1A1
SCHEMBL5334227 0.87 TLR7 (0.35) PIK3CATLR7TLR8CA2ALDH1A1
SCHEMBL4790566 0.87 TLR7 (0.36) PIK3CATLR7TLR8CA2HASPIN
SCHEMBL4791979 0.87 TLR7 (0.34) PIK3CATLR7TLR8CA2ALDH1A1
SCHEMBL4793675 0.86 TLR7 (0.42) TLR7TLR8
SCHEMBL5343016 0.86 TLR7 (0.36) PIK3CATLR7TLR8CA2HASPIN
SCHEMBL4791751 0.86 TLR7 (0.37) PIK3CATLR7TLR8CA2ALDH1A1

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

“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.