SCHEMBL4775915

SCHEMBL4775915

Cc1nc(Oc2ccccc2)c(N)c(NCCOCCNC(=O)OC(C)(C)C)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
IDO1 P14902 1/20 0.39
BCHE P06276 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
CNR2 P34972 1/20 0.37
BRD4 O60885 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL6094889 0.92 BCHE (0.45) ADORA2AADORA1IDO1BCHECKS1B
SCHEMBL6095098 0.90 BRD4 (0.44) ADORA2AADORA1BCHECA12CA1
SCHEMBL6097248 0.90 BRD4 (0.44) ADORA2AADORA1BCHECA12CA1
SCHEMBL5339852 0.85 BCHE (0.38) ADORA2AADORA1IDO1BCHECA12
SCHEMBL1232835 0.81 ALDH1A1 (0.36)
SCHEMBL28753431 0.79 TOP2A (0.37) BCHE
SCHEMBL1232939 0.79 TOP2A (0.37)
SCHEMBL4772034 0.78 HTR7 (0.42)
SCHEMBL6096324 0.77 BCHE (0.42) IDO1BCHECKS1BSKP1SKP2
SCHEMBL4790929 0.76 IDO1 (0.37) IDO1BCHECKS1BSKP1SKP2

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 3784/4885ADORA1 4168/4885IDO1 233/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ADORA2A 3607/4885ADORA1 3823/4885IDO1 134/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ADORA2A 3784/4885ADORA1 4168/4885IDO1 233/4885

“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.