SCHEMBL4794359

SCHEMBL4794359

CCCCS(=O)(=O)CCCCn1cnc2c(N)nc(C)c(C)c21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA2A P29274 4/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.37
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NR1I2 O75469 1/20 0.33
TLR8 Q9NR97 2/20 0.33
MEN1 O00255 1/20 0.32
HPRT1 P00492 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
SCHEMBL4793899 0.99 ALDH1A1 (0.43) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL4795617 0.96 ADORA2A (0.40) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL4791709 0.88 ALDH1A1 (0.36) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL4793952 0.87 ALDH1A1 (0.38) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL6778610 0.87 ALDH1A1 (0.38) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL4794192 0.84 MAPK13 (0.37) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL6729632 0.84 ALDH1A1 (0.34) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL4793485 0.82 ADORA2A (0.43) ALDH1A1TDP1ADORA2AKMT2AGAA
SCHEMBL4793888 0.82 ALDH1A1 (0.33) ALDH1A1TDP1ADORA2AKMT2ACDK1
SCHEMBL4793732 0.81 ALDH1A1 (0.44) ALDH1A1TDP1ADORA2AKMT2AGAA

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.