SCHEMBL4792883

SCHEMBL4792883

CCCCSCCCCCn1cnc2c(N)ncc(C)c21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADORA2A P29274 5/20 0.44
KMT2A Q03164 1/20 0.38
ADORA1 P30542 2/20 0.37
LMNA P02545 1/20 0.37
ADORA2B P29275 1/20 0.37
CYP3A4 P08684 2/20 0.37
AHCY P23526 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
TLR8 Q9NR97 2/20 0.34
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 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
SCHEMBL4794498 0.99 ALDH1A1 (0.46) ALDH1A1TDP1ADORA2AKMT2AADORA1
SCHEMBL5338093 0.95 ADORA2A (0.46) ALDH1A1TDP1ADORA2AKMT2AADORA1
SCHEMBL4795057 0.85 AHCY (0.40) ALDH1A1TDP1ADORA2AKMT2AADORA1
SCHEMBL4792763 0.82 ALDH1A1 (0.47) ALDH1A1TDP1ADORA2AKMT2AADORA1
SCHEMBL5336167 0.81 ALDH1A1 (0.44) ALDH1A1TDP1ADORA2AKMT2AADORA1
SCHEMBL4790949 0.81 ALDH1A1 (0.36) ALDH1A1TDP1ADORA2AKMT2ALMNA
SCHEMBL4793732 0.81 ALDH1A1 (0.44) ALDH1A1TDP1ADORA2AKMT2AADORA1
SCHEMBL4792327 0.81 AHCY (0.40) ALDH1A1TDP1ADORA2AADORA1LMNA
SCHEMBL4794354 0.81 ALDH1A1 (0.45) ALDH1A1TDP1ADORA2AKMT2AADORA1
SCHEMBL4792595 0.80 CYP1A2 (0.42) ALDH1A1TDP1ADORA2ALMNACYP3A4

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 2306/4885ADORA2A 3784/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ALDH1A1 940/4885TDP1 2716/4885ADORA2A 3607/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ALDH1A1 1803/4885TDP1 2306/4885ADORA2A 3784/4885

“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.