SCHEMBL5617166

SCHEMBL5617166

CCCc1nc2c(c(C)c(C)n3nnnc23)n1CCCC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNF P01375 14/20 0.39
GAA P10253 1/20 0.39
CTNNB1 P35222 1/20 0.39
FAAH O00519 2/20 0.36
TPH1 P17752 1/20 0.35
TPH2 Q8IWU9 1/20 0.35
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL5617264 0.92 FAAH (0.43) TNFGAACTNNB1FAAHTPH1
SCHEMBL4326967 0.72 TLR8 (0.32) TLR7
SCHEMBL4324672 0.72 TLR8 (0.34) TLR7
Trifluoroacetic Acid SCHEMBL5030373 0.70 TLR8 (0.35) TLR7
SCHEMBL483380 0.69 TLR7 (0.61) TLR7
SCHEMBL5030389 0.67 TLR8 (0.33) TLR7
SCHEMBL4004026 0.66 TLR7 (0.62) TLR7
SCHEMBL5617263 0.65 TNF (0.45) TNFGAACTNNB1FAAH
SCHEMBL4158992 0.65 TNF (0.48) TNFGAACTNNB1FAAHTLR7
SCHEMBL5617062 0.64 TLR7 (0.43) TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 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 (1 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-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG TNF 77/4885GAA 2214/4885CTNNB1 4878/4885

“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.