SCHEMBL5339810

SCHEMBL5339810

Cc1c(NCCOCCNC(=O)OC(C)(C)C)c(N)c2nnnn2c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.35
BRD4 O60885 11/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 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
SCHEMBL5031347 0.92 BRD4 (0.40) ADORA2AADORA1ADORA3BRD4MEN1
SCHEMBL1490507 0.90 BRD4 (0.43) BRD4
SCHEMBL5340518 0.85 BRD4 (0.36) ADORA2AADORA1ADORA3BRD4CA12
SCHEMBL5030370 0.78 GAA (0.31) GAA
SCHEMBL5030399 0.76 BRD4 (0.38) ADORA2AADORA3BRD4MEN1GAA
SCHEMBL14208920 0.75 BRD4 (0.34) BRD4
SCHEMBL5034574 0.75 GAA (0.36) ADORA2AADORA3BRD4GAABCHE
SCHEMBL1490796 0.74 BRD4 (0.44) BRD4
SCHEMBL5333859 0.73 BRD4 (0.34) ADORA2AADORA1ADORA3BRD4
SCHEMBL12888458 0.72 BCHE (0.40) ADORA2AADORA1ADORA3BRD4BCHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 4168/4885ADORA3 3914/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ADORA2A 3607/4885ADORA1 3823/4885ADORA3 3882/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ADORA2A 3784/4885ADORA1 4168/4885ADORA3 3914/4885

“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.