SCHEMBL4790496

SCHEMBL4790496

Cc1cnc(N)c2ncn(CCCC[S+]([O-])c3ccccc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 1/20 0.35
ADORA2A P29274 6/20 0.34
TLR7 Q9NYK1 2/20 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
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
AHCY P23526 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33

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
SCHEMBL4794739 0.99 LMNA (0.34) LMNASMN1; SMN2HPGDADORA2ATLR7
SCHEMBL4794499 0.97 LMNA (0.35) LMNASMN1; SMN2HPGDADORA2ATLR7
SCHEMBL5345587 0.88 AHCY (0.35) LMNASMN1; SMN2HPGDADORA2ATLR7
SCHEMBL5348724 0.87 ALDH1A1 (0.35) LMNASMN1; SMN2HPGDADORA2ATLR7
SCHEMBL4792621 0.84 AHCY (0.36) LMNASMN1; SMN2HPGDADORA2ATLR7
SCHEMBL4792826 0.83 AHCY (0.41) LMNASMN1; SMN2HPGDADORA2AAHCY
SCHEMBL4793694 0.83 ADORA2A (0.38) LMNASMN1; SMN2HPGDADORA2ATLR7
SCHEMBL4793623 0.83 ADORA2A (0.38) LMNAADORA2ATLR7POLBHRH2
SCHEMBL4791522 0.82 AHCY (0.40) LMNASMN1; SMN2HPGDADORA2AAHCY
SCHEMBL4793355 0.81 TLR7 (0.37) LMNAADORA2ATLR7PI4KAPI4K2B

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 LMNA 4400/4885SMN1; SMN2 2887/4885HPGD 624/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP LMNA 4818/4885SMN1; SMN2 4130/4885HPGD 326/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 LMNA 4400/4885SMN1; SMN2 2887/4885HPGD 624/4885

“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.