SCHEMBL731227

SCHEMBL731227

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(Cc3cccc(C(C)C(=O)O)c3)C(=O)CCS(C)(=O)=O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.58

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
SCHEMBL731512 0.93 TLR7 (0.59) TLR7
SCHEMBL728851 0.91 TLR7 (0.62) TLR7
SCHEMBL729353 0.91 TLR7 (0.59) TLR7
SCHEMBL730748 0.91 TLR7 (0.58) TLR7
SCHEMBL730768 0.90 TLR7 (0.63) TLR7
SCHEMBL729242 0.89 TLR7 (0.59) TLR7
SCHEMBL4461136 0.89 TLR7 (0.57) TLR7
SCHEMBL729282 0.89 TLR7 (0.62) TLR7
SCHEMBL731478 0.89 TLR7 (0.59) TLR7
SCHEMBL734686 0.87 TLR7 (0.67) TLR7

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-8138172-B2 8-oxoadenine derivatives acting as modulators of TLR7 ASTRAZENECA AB (SE) 2012-03-20 US claimed
US-20100240623-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2010-09-23 US claimed
US-8138172-B2 8-oxoadenine derivatives acting as modulators of TLR7 ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-20100240623-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2010-09-23 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-20100240623-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 TLR7, TLR8, TLR9 TLR7 1/4885

“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.