SCHEMBL2892852

SCHEMBL2892852

CCOCc1nc2c[n+]([O-])c3ccccc3c2n1CCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.40
TLR8 Q9NR97 8/20 0.39
NUDT1 P36639 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
SCHEMBL2895018 0.88 TLR7 (0.41) TLR7TLR8
SCHEMBL2889187 0.83 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6098569 0.83 TLR8 (0.42) TLR7TLR8NUDT1
SCHEMBL15205345 0.83 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL15205343 0.83 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL3666095 0.81 TLR8 (0.41) TLR7TLR8NUDT1
SCHEMBL19475891 0.81 CTNNB1 (0.41) TLR7TLR8NUDT1
SCHEMBL5346497 0.81 TLR7 (0.48) TLR7TLR8
SCHEMBL6414152 0.80 SMN1; SMN2 (0.36) TLR7
SCHEMBL29385735 0.80 TLR7 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436178-B2 Imidazoquinolines with immuno-modulating properties ASTRAZENECA AB (SE) 2013-05-07 US disclosed
US-20100280001-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2010-11-04 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-20100280001-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES IFNG, FCGRT, IFNAR1 TLR7 267/4885TLR8 1392/4885NUDT1 3166/4885

“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.