SCHEMBL4793167

SCHEMBL4793167

CSC(C)CCCn1cnc2c(N)ncc(C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.38
ADORA2A P29274 8/20 0.36
ADORA1 P30542 4/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
NUDT1 P36639 1/20 0.33
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ADORA2B P29275 1/20 0.33
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31

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
SCHEMBL4792327 0.82 AHCY (0.40) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4795057 0.81 AHCY (0.40) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL5338093 0.76 ADORA2A (0.46) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4794319 0.75 AHCY (0.40) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4794498 0.75 ALDH1A1 (0.46) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4794273 0.74 AHCY (0.39) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4876899 0.74 AHCY (0.41) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4792883 0.74 ALDH1A1 (0.48) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4791292 0.74 SMN1; SMN2 (0.37) AHCYADORA2AADORA1ALDH1A1TDP1
SCHEMBL4792826 0.73 AHCY (0.41) AHCYADORA2AADORA1ALDH1A1TDP1

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 AHCY 1252/4885ADORA2A 3784/4885ADORA1 4168/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP AHCY 235/4885ADORA2A 3607/4885ADORA1 3823/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 AHCY 1252/4885ADORA2A 3784/4885ADORA1 4168/4885

“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.