SCHEMBL19385129

SCHEMBL19385129

COc1ccc(CNc2nc(N3CCN(C4CCCC4)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 1.00
TLR9 Q9NR96 11/20 0.87
SPIN1 Q9Y657 3/20 0.54
EHMT2 Q96KQ7 2/20 0.53
NSD2 O96028 1/20 0.53
SPIN4 Q56A73 1/20 0.53
SPIN3 Q5JUX0 1/20 0.53
SPIN2B Q9BPZ2 1/20 0.53

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
SCHEMBL19385236 0.93 TLR7 (1.00) TLR7TLR9SPIN1EHMT2SPIN4
SCHEMBL29937017 0.86 TLR7 (1.00) TLR7TLR9SPIN1EHMT2SPIN4
SCHEMBL19385205 0.86 TLR7 (1.00) TLR7TLR9SPIN1EHMT2SPIN4
SCHEMBL19385401 0.82 TLR7 (0.79) TLR7TLR9SPIN1EHMT2NSD2
SCHEMBL19405236 0.82 TLR7 (0.78) TLR7TLR9SPIN1EHMT2NSD2
SCHEMBL19385009 0.81 TLR7 (1.00) TLR7TLR9SPIN1EHMT2NSD2
SCHEMBL19405214 0.81 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385103 0.81 TLR7 (1.00) TLR7TLR9SPIN1EHMT2
SCHEMBL19405239 0.78 TLR7 (0.78) TLR7TLR9SPIN1EHMT2SPIN4
SCHEMBL22401497 0.78 TLR9 (1.00) TLR7TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433249-B1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL SCIENT IND RES (IN) 2022-11-09 EP disclosed
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-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
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-28 US disclosed
EP-3433249-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST Council Of Scientific & Industrial Research (IN) 2019-01-30 EP 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
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.