SCHEMBL5333155

SCHEMBL5333155

COC(C)c1nc2c(N)nc(C)cc2n1CCOCCNS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL4793543 0.91 NPY5R (0.33) ADORA2AADORA2BADORA1
SCHEMBL4793585 0.86 TLR7 (0.31) ADORA2AADORA2BADORA1TLR7
SCHEMBL5336578 0.84 ADORA2A (0.31) ADORA2AADORA2BADORA1
SCHEMBL4793998 0.83 POLB (0.50)
SCHEMBL5336954 0.82 BRD4 (0.33) ADORA2AADORA2BADORA1
SCHEMBL5333157 0.82 TLR7 (0.35) ADORA2AADORA2BADORA1TLR7
SCHEMBL5347647 0.81 ADORA2A (0.31) ADORA2AADORA2BADORA1
SCHEMBL5337230 0.81 TSPO (0.30)
SCHEMBL4793833 0.80 TLR7 (0.38) ADORA2AADORA2BADORA1TLR7
SCHEMBL4791296 0.78 HTT (0.36)

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 3784/4885ADORA2B 4202/4885ADORA1 4168/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ADORA2A 3607/4885ADORA2B 4188/4885ADORA1 3823/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ADORA2A 3784/4885ADORA2B 4202/4885ADORA1 4168/4885

“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.