SCHEMBL4790907

SCHEMBL4790907

Cc1cnc(N)c2ncn(CCCCS(=O)(=O)c3ncccn3)c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.35
ADORA2A P29274 3/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADCY5 O95622 3/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 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
SCHEMBL4873470 0.99 ALDH1A1 (0.35) AHCYADORA2AALDH1A1TDP1ADCY5
SCHEMBL4790608 0.97 AHCY (0.36) AHCYADORA2AALDH1A1TDP1ADCY5
SCHEMBL4794273 0.86 AHCY (0.39) AHCYADORA2AALDH1A1TDP1ADCY5
SCHEMBL4792580 0.85 MAPK13 (0.39) AHCYADORA2AALDH1A1TDP1LMNA
SCHEMBL4790563 0.84 ALDH1A1 (0.39) AHCYADORA2AALDH1A1TDP1ADCY5
SCHEMBL4793334 0.84 MAPK13 (0.39) AHCYADORA2AALDH1A1TDP1ADCY5
SCHEMBL4793888 0.83 ALDH1A1 (0.33) ADORA2AALDH1A1TDP1LMNA
SCHEMBL4790983 0.82 ALDH1A1 (0.34) ADORA2AALDH1A1TDP1ADCY5LMNA
SCHEMBL4794164 0.82 MAPK13 (0.42) AHCYADORA2AALDH1A1TDP1LMNA
SCHEMBL4794319 0.82 AHCY (0.40) AHCYADORA2AALDH1A1TDP1ADCY5

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 3784/4885ALDH1A1 1803/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP AHCY 235/4885ADORA2A 3607/4885ALDH1A1 940/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 AHCY 1252/4885ADORA2A 3784/4885ALDH1A1 1803/4885

“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.