SCHEMBL9935765

SCHEMBL9935765

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCCCC3)Cc3ccc(CC(=O)O)cc3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.70
TLR8 Q9NR97 2/20 0.52
IL6 P05231 1/20 0.52

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
Hydrochloric Acid SCHEMBL23403876 0.99 TLR7 (0.69) TLR7TLR8IL6
SCHEMBL4131529 0.93 TLR7 (0.66) TLR7TLR8
SCHEMBL31123015 0.93 TLR7 (0.68) TLR7IL6
SCHEMBL9971017 0.93 TLR7 (0.68) TLR7IL6
Hydrochloric Acid SCHEMBL31123016 0.92 TLR7 (0.67) TLR7IL6
SCHEMBL9936590 0.91 TLR7 (0.69) TLR7TLR8IL6
SCHEMBL9935626 0.90 TLR7 (0.59) TLR7IL6
Hydrochloric Acid SCHEMBL28579700 0.90 TLR7 (0.68) TLR7TLR8IL6
SCHEMBL4132555 0.88 TLR7 (0.63) TLR7TLR8IL6
SCHEMBL4131152 0.87 TLR7 (0.61) TLR7IL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310469-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION WITH TOLL-LIKE-RECEPTOR AGONISTS Accencio LLC 2023-10-05 US disclosed
EP-2651943-A1 PURINE DERIVATIVES Astrazeneca AB (SE) 2013-10-23 EP disclosed
WO-2012080730-A1 PURINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-21 WO 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-20230310469-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION WITH TOLL-LIKE-RECEPTOR AGONISTS TLR3, TLR7, TLR8 TLR7 2/4885TLR8 3/4885IL6 20/4885

“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.