SCHEMBL19406367

SCHEMBL19406367

COc1cc2c(N3CCN(S(=O)(=O)N(C)C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.82
TLR9 Q9NR96 15/20 0.82
SPIN1 Q9Y657 3/20 0.62

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
SCHEMBL19385355 0.91 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19405196 0.89 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL29936638 0.85 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385134 0.85 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19405214 0.84 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385084 0.83 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385172 0.82 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385120 0.82 TLR7 (1.00) TLR7TLR9
SCHEMBL19385052 0.82 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385235 0.82 TLR9 (0.77) TLR7TLR9SPIN1

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-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-05-26 US disclosed
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-28 US disclosed
WO-2017163264-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 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 (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-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST TLR9, TLR1, TLR3 TLR7 5/4885TLR9 1/4885SPIN1 4310/4885
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist TLR9, TLR1, TLR3 TLR7 4/4885TLR9 1/4885SPIN1 4423/4885

“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.