SCHEMBL4794192

SCHEMBL4794192

Cc1nc(N)c2ncn(CCCS(C)(=O)=O)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ADORA2A P29274 5/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TLR7 Q9NYK1 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
NUDT1 P36639 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL4791709 0.96 ALDH1A1 (0.36) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL4793952 0.95 ALDH1A1 (0.38) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL4795617 0.88 ADORA2A (0.40) ADORA2ACDK1CCNB1CCNE1CDK2
SCHEMBL4792640 0.86 TLR7 (0.33) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL4791639 0.85 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL4794359 0.84 ALDH1A1 (0.41) ADORA2ACDK1CCNB1CCNE1CDK2
SCHEMBL6729632 0.84 ALDH1A1 (0.34) ADORA2ACDK1CCNB1CCNE1CDK2
SCHEMBL4793899 0.83 ALDH1A1 (0.43) ADORA2ACDK1CCNB1CCNE1CDK2
SCHEMBL6094919 0.82 ALDH1A1 (0.39) ADORA2ACDK1CCNB1CCNE1CDK2
SCHEMBL4793888 0.82 ALDH1A1 (0.33) ADORA2ACDK1CCNB1CCNE1CDK2

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 MAPK13 2291/4885MAPK12 1433/4885MAPK11 2613/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP MAPK13 2338/4885MAPK12 1520/4885MAPK11 2959/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 MAPK13 2291/4885MAPK12 1433/4885MAPK11 2613/4885

“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.