SCHEMBL19385232

SCHEMBL19385232

COc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(N3CCCC3)nc2cc1OCc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 9/20 0.89
TLR7 Q9NYK1 7/20 0.89
KMT5A Q9NQR1 1/20 0.56
EHMT2 Q96KQ7 2/20 0.54
PDGFRB P09619 1/20 0.53
SLC2A1 P11166 1/20 0.53
KIT P10721 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.49

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
SCHEMBL29936678 1.00 TLR9 (0.89) TLR9TLR7KMT5AEHMT2PDGFRB
SCHEMBL19405156 0.89 TLR9 (0.80) TLR9TLR7PDGFRBKIT
SCHEMBL19405217 0.87 TLR9 (0.76) TLR9TLR7EHMT2PDGFRBKIT
SCHEMBL19385098 0.87 TLR9 (1.00) TLR9TLR7PDGFRB
SCHEMBL23726611 0.87 TLR9 (0.71) TLR9TLR7PDGFRBKIT
SCHEMBL30080195 0.87 TLR9 (0.71) TLR9TLR7PDGFRBKIT
SCHEMBL2918088 0.86 TLR9 (0.76) TLR9TLR7PDGFRBKIT
SCHEMBL19385275 0.86 TLR9 (0.67) TLR9TLR7KMT5AEHMT2
SCHEMBL19405154 0.86 TLR9 (0.67) TLR9TLR7KMT5AEHMT2PDGFRB
SCHEMBL19385115 0.84 TLR7 (0.67) TLR9TLR7KMT5AEHMT2

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 7 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-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 TLR9 1/4885TLR7 5/4885KMT5A 2084/4885
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist TLR9, TLR1, TLR3 TLR9 1/4885TLR7 4/4885KMT5A 2157/4885

“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.