SCHEMBL4866680

SCHEMBL4866680

CCCC[S+]([O-])CCCn1cnc2c(N)nc(C)c(C)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
KMT2A Q03164 1/20 0.37
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
SLC29A1 Q99808 1/20 0.33
TMIGD3 P0DMS9 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
NUDT1 P36639 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
SCHEMBL4790537 0.96 ALDH1A1 (0.41) ADORA2AALDH1A1TDP1GAACDK1
SCHEMBL4793222 0.95 ALDH1A1 (0.43) ADORA2AALDH1A1TDP1GAACDK1
SCHEMBL4794870 0.86 ADORA2A (0.35) ADORA2AALDH1A1TDP1GAACDK1
SCHEMBL4793060 0.83 ALDH1A1 (0.36) ADORA2AALDH1A1TDP1GAACDK1
SCHEMBL4794598 0.82 ADORA2A (0.44) ADORA2AALDH1A1TDP1GAACDK1
SCHEMBL4793487 0.82 ALDH1A1 (0.38) ADORA2AALDH1A1TDP1GAACDK1
SCHEMBL5869950 0.81 ADORA2A (0.35) ADORA2AALDH1A1TDP1CDK1CCNB1
SCHEMBL4792116 0.81 ALDH1A1 (0.43) ADORA2AALDH1A1TDP1GAACDK1
SCHEMBL4791711 0.81 ADORA2A (0.39) ADORA2AALDH1A1TDP1CDK1CCNB1
SCHEMBL4794354 0.80 ALDH1A1 (0.45) ADORA2AALDH1A1TDP1GAACDK1

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.