SCHEMBL17190810

SCHEMBL17190810

[3H]Nc1nc2cc(C(=O)O)ccc2c2c1nc(COCC)n2CC(C)(C)O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.66
TLR8 Q9NR97 14/20 0.66
NUDT1 P36639 1/20 0.65

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
SCHEMBL17190813 0.91 TLR7 (0.73) TLR7TLR8NUDT1
SCHEMBL17190809 0.88 TLR7 (0.60) TLR7TLR8NUDT1
SCHEMBL17190818 0.86 TLR7 (0.69) TLR7TLR8NUDT1
Resiquimod SCHEMBL17190806 0.86 TLR7 (0.86) TLR7TLR8NUDT1
SCHEMBL17190814 0.86 TLR7 (0.66) TLR7TLR8NUDT1
SCHEMBL30583611 0.85 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL17181369 0.85 TLR7 (0.83) TLR7TLR8NUDT1
SCHEMBL3864008 0.84 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL4530112 0.83 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL17190811 0.82 TLR7 (0.72) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447097-B2 4-amino-imidazoquinoline compounds HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-20160222010-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-08-04 US disclosed
US-9334268-B2 4-amino-imidazoquinoline compounds HOFFMAN-LA ROCHE INC. (US) 2016-05-10 US disclosed
US-20150299194-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-22 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-20160222010-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS TLR4, TLR1, TLR5 TLR7 4/4885TLR8 9/4885NUDT1 2019/4885
US-20150299194-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS TLR4, TLR1, TLR5 TLR7 4/4885TLR8 9/4885NUDT1 2019/4885

“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.