SCHEMBL18459799

SCHEMBL18459799

Cc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=S)Nc2cccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2C(=O)O)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.83
▸ CA1 P00915 8/20 0.48
▸ CA2 P00918 8/20 0.48
▸ CA9 Q16790 8/20 0.48
▸ CA12 O43570 5/20 0.48
▸ CA14 Q9ULX7 5/20 0.48
▸ CA7 P43166 2/20 0.43
▸ ELF3 P78545 3/20 0.42
▸ MED23 Q9ULK4 3/20 0.42
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ BTK Q06187 3/20 0.40
▸ HAVCR2 Q8TDQ0 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ TRAP1 Q12931 1/20 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
SCHEMBL13837707 0.91 TLR7 (1.00) TLR7
SCHEMBL19345052 0.81 TLR7 (0.82) TLR7
SCHEMBL6493993 0.73 TLR7 (0.69) TLR7CA1CA2CA9CA12
SCHEMBL6492207 0.71 TLR7 (0.59) TLR7CA1CA2CA9CA12
SCHEMBL13970758 0.69 CA9 (0.83) CA1CA2CA9CA12CA14
SCHEMBL18459798 0.68 TLR7 (0.58) TLR7
SCHEMBL6493986 0.68 TLR7 (0.62) TLR7CA1CA2CA9CA12
SCHEMBL13273546 0.67 USP2 (0.67) TLR7CA1CA2CA9CA12
SCHEMBL18460251 0.67 TLR7 (0.70) TLR7
SCHEMBL23762533 0.66 USP2 (0.52) TLR7CA1CA2CA9CA12

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-20170260184-A1 TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS UNIV KANSAS (US) 2017-09-14 — — US disclosed
US-20170029421-A1 TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS UNIV KANSAS (US) 2017-02-02 — — 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 (2 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-20170029421-A1 TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS TLR7, TLR8, TLR3 TLR7 1/4885CA1 4756/4885CA2 3120/4885
US-20170260184-A1 TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS TLR7, TLR8, TLR3 TLR7 1/4885CA1 4756/4885CA2 3120/4885

“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.

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