SCHEMBL5339657

SCHEMBL5339657

Cc1nc(N)c2nc(CC3CC3)n(CCOCCNC(=O)NC3CCCCC3)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.39
CCR3 P51677 1/20 0.38
EPHX1 P07099 11/20 0.36
GAA P10253 1/20 0.36
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5335421 0.92 EPHX1 (0.38) EPHX2EPHX1GAAKDM4EALDH1A1
SCHEMBL14500921 0.91 EPHX2 (0.40) EPHX2EPHX1GAAKDM4EALDH1A1
SCHEMBL5336947 0.90 EPHX1 (0.40) EPHX2EPHX1GAAKDM4EALDH1A1
SCHEMBL5337899 0.89 EPHX2 (0.44) EPHX2EPHX1GAATLR7KDM4E
SCHEMBL5340683 0.88 TLR7 (0.40) TLR8TLR7
SCHEMBL5341110 0.87 TP53 (0.37) TLR8TLR7KDM4EALDH1A1
SCHEMBL5348338 0.85 TLR7 (0.41) TLR8TLR7
SCHEMBL5333971 0.84 CCR3 (0.37) EPHX2CCR3EPHX1GAATLR8
SCHEMBL5335418 0.83 EPHX2 (0.35) EPHX2EPHX1GAAKDM4EALDH1A1
SCHEMBL5337892 0.83 EPHX2 (0.37) EPHX2EPHX1GAAKDM4EALDH1A1

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 EPHX2 762/4885CCR3 64/4885EPHX1 386/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP EPHX2 704/4885CCR3 47/4885EPHX1 259/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 EPHX2 762/4885CCR3 64/4885EPHX1 386/4885

“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.