SCHEMBL19385362

SCHEMBL19385362

COc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(N3CCCC3)nc2cc1OCCCN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.63
TLR9 Q9NR96 11/20 0.63
KMT5A Q9NQR1 1/20 0.61
EHMT2 Q96KQ7 2/20 0.55
NSD2 O96028 1/20 0.55
SPIN1 Q9Y657 2/20 0.54
PDGFRB P09619 2/20 0.53
CSF1R P07333 1/20 0.52
KIT P10721 1/20 0.52
FLT3 P36888 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
SCHEMBL19385115 0.94 TLR7 (0.67) TLR7TLR9KMT5AEHMT2NSD2
SCHEMBL19385096 0.92 TLR7 (0.71) TLR7TLR9KMT5AEHMT2NSD2
SCHEMBL19385275 0.88 TLR9 (0.67) TLR7TLR9KMT5AEHMT2NSD2
SCHEMBL19405154 0.88 TLR9 (0.67) TLR7TLR9KMT5AEHMT2NSD2
SCHEMBL19385122 0.88 TLR9 (0.68) TLR7TLR9EHMT2NSD2SPIN1
SCHEMBL2923197 0.87 TLR9 (0.66) TLR7TLR9KMT5A
SCHEMBL19405140 0.86 TLR9 (0.64) TLR7TLR9KMT5AEHMT2NSD2
SCHEMBL19385130 0.85 TLR9 (0.61) TLR7TLR9KMT5AEHMT2NSD2
SCHEMBL19385235 0.84 TLR9 (0.77) TLR7TLR9KMT5AEHMT2NSD2
SCHEMBL19385140 0.83 TLR7 (0.69) TLR7TLR9KMT5AEHMT2SPIN1

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