SCHEMBL4876899

SCHEMBL4876899

Cc1cnc(N)c2ncn(CCC[S+](C)[O-])c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.41
ADORA2A P29274 6/20 0.38
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2B P29275 1/20 0.34
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
CSNK2A3 Q8NEV1 2/20 0.32
ADCY5 O95622 3/20 0.31
GAA P10253 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
SCHEMBL4792826 0.96 AHCY (0.41) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL4791522 0.95 AHCY (0.40) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL4794598 0.86 ADORA2A (0.44) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL4792621 0.84 AHCY (0.36) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL4794499 0.83 LMNA (0.35) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL4793388 0.83 ADORA2A (0.43) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL5336167 0.82 ALDH1A1 (0.44) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL5345587 0.81 AHCY (0.35) AHCYADORA2AALDH1A1TDP1ADORA1
SCHEMBL4794870 0.81 ADORA2A (0.35) ADORA2AALDH1A1TDP1ADORA1ADORA2B
SCHEMBL4790496 0.80 LMNA (0.35) AHCYADORA2AALDH1A1TDP1ADORA1

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.