SCHEMBL4790983

SCHEMBL4790983

Cc1nc(N)c2ncn(CCCCCS(=O)(=O)c3ncccn3)c2c1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TLR7 Q9NYK1 2/20 0.32
ADORA2A P29274 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
NUDT1 P36639 1/20 0.32
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADCY5 O95622 1/20 0.30
KMT2A Q03164 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
SCHEMBL4793888 0.99 ALDH1A1 (0.33) ALDH1A1TDP1TLR7ADORA2ALMNA
SCHEMBL4792640 0.96 TLR7 (0.33) ALDH1A1TDP1TLR7ADORA2ALMNA
SCHEMBL4793952 0.86 ALDH1A1 (0.38) ALDH1A1TDP1TLR7ADORA2ALMNA
SCHEMBL4792244 0.86 MAPK13 (0.38) ALDH1A1TDP1TLR7ADORA2ALMNA
SCHEMBL4791709 0.85 ALDH1A1 (0.36) ALDH1A1TDP1TLR7ADORA2ALMNA
SCHEMBL4792745 0.85 MAPK13 (0.39) ALDH1A1TDP1TLR7ADORA2ALMNA
SCHEMBL4838352 0.84 ALDH1A1 (0.33) ALDH1A1TDP1TLR7ADORA2ALMNA
SCHEMBL4873470 0.83 ALDH1A1 (0.35) ALDH1A1TDP1ADORA2ALMNAADCY5
SCHEMBL4791625 0.83 TLR7 (0.32) TLR7
SCHEMBL4790907 0.82 AHCY (0.35) ALDH1A1TDP1ADORA2ALMNAADCY5

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 ALDH1A1 1803/4885TDP1 2306/4885TLR7 33/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ALDH1A1 940/4885TDP1 2716/4885TLR7 93/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ALDH1A1 1803/4885TDP1 2306/4885TLR7 33/4885

“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.