SCHEMBL17181529

SCHEMBL17181529

CCOCc1nc2c(N)nc3c(OCCN)cccc3c2n1CC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.58
TLR7 Q9NYK1 17/20 0.55
NUDT1 P36639 1/20 0.49
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NCF1 P14598 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
SCHEMBL4238521 0.92 TLR8 (0.62) TLR8TLR7NUDT1ADORA3ADORA2A
SCHEMBL17181528 0.84 TLR7 (0.52) TLR8TLR7NUDT1
SCHEMBL18179114 0.78 TLR7 (0.79) TLR8TLR7NUDT1
SCHEMBL4238517 0.77 TLR8 (0.61) TLR8TLR7NUDT1NCF1
SCHEMBL5111244 0.74 TLR8 (1.00) TLR8TLR7NUDT1
SCHEMBL1616206 0.73 TLR8 (0.84) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL6493853 0.72 TLR8 (0.82) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL3863644 0.72 TLR8 (0.82) TLR8TLR7NUDT1
SCHEMBL1952956 0.71 TLR8 (0.80) TLR8TLR7NUDT1
SCHEMBL30954539 0.71 TLR8 (0.80) TLR8TLR7NUDT1

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 TLR8 9/4885TLR7 4/4885NUDT1 2019/4885
US-20150299194-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS TLR4, TLR1, TLR5 TLR8 9/4885TLR7 4/4885NUDT1 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.