SCHEMBL19385261

SCHEMBL19385261

COc1cc2c(N3CCNCC3)nc(N3CCCC3)nc2cc1OCCCN(C)C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.65
TLR9 Q9NR96 6/20 0.65
KMT5A Q9NQR1 4/20 0.56
EHMT2 Q96KQ7 4/20 0.56
EHMT1 Q9H9B1 1/20 0.56
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
APAF1 O14727 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
UBE2N P61088 1/20 0.53
SPIN1 Q9Y657 3/20 0.53
SPIN4 Q56A73 1/20 0.52
SPIN3 Q5JUX0 1/20 0.52
SPIN2B Q9BPZ2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL19406161 0.89 TLR7 (0.63) TLR7TLR9KMT5AEHMT2ALDH1A1
SCHEMBL20610675 0.87 ALDH1A1 (0.69) TLR7TLR9KMT5AEHMT2EHMT1
SCHEMBL20610678 0.85 ALDH1A1 (0.67) TLR7TLR9KMT5AEHMT2EHMT1
SCHEMBL20850670 0.85 TLR7 (0.71) TLR7TLR9KMT5AEHMT2ALDH1A1
SCHEMBL19385140 0.83 TLR7 (0.69) TLR7TLR9KMT5AEHMT2SPIN1
SCHEMBL25222697 0.83 ADRA1D (0.58) TLR7TLR9KMT5AEHMT2EHMT1
SCHEMBL19385373 0.83 TLR9 (0.70) TLR7TLR9EHMT2EHMT1SPIN1
SCHEMBL19385175 0.82 TLR7 (0.59) TLR7TLR9KMT5AEHMT2ALDH1A1
SCHEMBL19405140 0.82 TLR9 (0.64) TLR7TLR9KMT5AEHMT2EHMT1
SCHEMBL25204359 0.81 EHMT2 (0.59) TLR7TLR9KMT5AEHMT2EHMT1

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 9 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 claimed
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 1/4885KMT5A 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.