SCHEMBL4795617

SCHEMBL4795617

CCCCS(=O)(=O)CCCn1cnc2c(N)nc(C)c(C)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.37
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
HPRT1 P00492 1/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
MEN1 O00255 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32

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
SCHEMBL4794359 0.96 ALDH1A1 (0.41) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL4793899 0.95 ALDH1A1 (0.43) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL4794192 0.88 MAPK13 (0.37) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL6778610 0.85 ALDH1A1 (0.38) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL4791709 0.84 ALDH1A1 (0.36) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL4793952 0.83 ALDH1A1 (0.38) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL4795078 0.82 ADORA2A (0.44) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL4792640 0.81 TLR7 (0.33) ADORA2AALDH1A1TDP1CDK1CCNB1
SCHEMBL4792116 0.81 ALDH1A1 (0.43) ADORA2AALDH1A1TDP1GAAKMT2A
SCHEMBL4791639 0.81 MAPK13 (0.41) ADORA2AALDH1A1TDP1ADORA1ADORA2B

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

“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.