SCHEMBL4771491

SCHEMBL4771491

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)c(C)c(NCCOCCNC(=O)OC(C)(C)C)c2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
BRD4 O60885 3/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CA P42336 1/20 0.35
CHRM4 P08173 1/20 0.34
PTGS2 P35354 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CACNA1B Q00975 1/20 0.33

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
SCHEMBL4793194 0.87 BCHE (0.36) CA12CA1CA2CA9BRD4
SCHEMBL4793490 0.77 TLR7 (0.36) BRD4GLAKMT2A
SCHEMBL842362 0.76 GSR (0.42) BRD4KMT2A
SCHEMBL4299371 0.73 GAA (0.47) CA12CA1KMT2A
SCHEMBL6094775 0.73 BRD4 (0.42) ADORA2AADORA1BRD4KMT2ANPSR1
SCHEMBL3285536 0.72 ADORA2A (0.46) ADORA2AADORA1CA12CA1CA2
SCHEMBL4792946 0.72 GAA (0.38) KMT2APIK3CANPSR1
SCHEMBL13326022 0.72 ADORA2A (0.47) ADORA2AADORA1CA12CA1CA2
SCHEMBL21069692 0.71 ACHE (0.56) CA12CA1CA2CA9SUCNR1
SCHEMBL21070067 0.71 ACHE (0.56) CA12CA1CA2CA9SUCNR1

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 4168/4885CA12 4280/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ADORA2A 3607/4885ADORA1 3823/4885CA12 3608/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ADORA2A 3784/4885ADORA1 4168/4885CA12 4280/4885

“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.