SCHEMBL5347188

SCHEMBL5347188

Cc1nc(N)c2nc(C)n(CCOCCNC(=O)N[C@@H]3C[C@H]3c3ccccc3)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 7/20 0.40
TLR1 Q15399 7/20 0.40
EPHX2 P34913 5/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
BMP1 P13497 2/20 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
SCHEMBL7051029 0.91 EPHX2 (0.42) TLR2TLR1EPHX2CA1CA2
SCHEMBL6279146 0.91 EPHX2 (0.42) TLR2TLR1EPHX2CA1CA2
SCHEMBL6288251 0.90 EPHX2 (0.41) TLR2TLR1EPHX2CA1CA2
SCHEMBL5338885 0.86 SIGMAR1 (0.44) TLR2TLR1
SCHEMBL5338890 0.86 SIGMAR1 (0.44) TLR2TLR1
SCHEMBL6283987 0.81 TLR7 (0.42) TLR2TLR1EPHX2CA1CA2
SCHEMBL5338910 0.78 DRD2 (0.37) SMN1; SMN2NPSR1
SCHEMBL13613802 0.78 TLR7 (0.55)
SCHEMBL6280008 0.77 TLR2 (0.39) TLR2TLR1
SCHEMBL6769791 0.77 SIGMAR1 (0.51)

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 8 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-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US 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
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 TLR2 61/4885TLR1 37/4885EPHX2 762/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR2 152/4885TLR1 78/4885EPHX2 704/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR2 61/4885TLR1 37/4885EPHX2 762/4885

“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.