SCHEMBL5338885

SCHEMBL5338885

Cc1nc(N)c2nc(C)n(CCOCCNC(=O)C3CC3c3ccccc3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.44
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
TLR2 O60603 4/20 0.39
TLR1 Q15399 4/20 0.39

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
SCHEMBL5338890 1.00 SIGMAR1 (0.44) SIGMAR1ALDH1A1DRD2DRD3TLR2
SCHEMBL6769791 0.91 SIGMAR1 (0.51) SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL6769793 0.91 SIGMAR1 (0.51) SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL6097924 0.89 SIGMAR1 (0.47) SIGMAR1ALDH1A1DRD2DRD3TLR2
SCHEMBL6097918 0.89 SIGMAR1 (0.47) SIGMAR1ALDH1A1DRD2DRD3TLR2
SCHEMBL5347188 0.86 TLR2 (0.40) TLR2TLR1
SCHEMBL6111300 0.81 TLR7 (0.43) SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL6111303 0.81 TLR7 (0.43) SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL5338910 0.80 DRD2 (0.37) DRD2DRD3
SCHEMBL6279146 0.77 EPHX2 (0.42) TLR2TLR1

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 SIGMAR1 2778/4885ALDH1A1 1803/4885DRD2 4115/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP SIGMAR1 2464/4885ALDH1A1 940/4885DRD2 4084/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 SIGMAR1 2778/4885ALDH1A1 1803/4885DRD2 4115/4885

“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.