SCHEMBL4790944

SCHEMBL4790944

Cc1nc(N)c2nc(C)n(CCCS(=O)(=O)c3ccccc3)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.40
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TLR8 Q9NR97 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4792665 0.97 TLR7 (0.40) TLR7SAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL4793073 0.96 TLR7 (0.39) TLR7SAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL4793175 0.88 TLR7 (0.50) TLR7SAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL4793849 0.86 TLR7 (0.45) TLR7TLR8
SCHEMBL4793823 0.85 TLR7 (0.52) TLR7TLR8
SCHEMBL4794615 0.85 TLR7 (0.52) TLR7SAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL5340364 0.84 TLR7 (0.33) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4793119 0.84 TLR7 (0.51) TLR7SAE1UBA2MAPTTLR8
SCHEMBL4794302 0.84 TLR7 (0.44) TLR7SAE1UBA2TLR8
SCHEMBL4794069 0.84 TLR7 (0.43) TLR7

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 TLR7 33/4885SAE1 1815/4885UBA2 3554/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885SAE1 2018/4885UBA2 4211/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885SAE1 1815/4885UBA2 3554/4885

“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.