SCHEMBL21645127

SCHEMBL21645127

N#Cc1ccc(N2C[C@@H](CO)O[C@@H](C(F)(F)F)C2)c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.58
TLR9 Q9NR96 13/20 0.41
TLR7 Q9NYK1 13/20 0.41
ACVR1 Q04771 1/20 0.35
NSD2 O96028 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ELANE P08246 2/20 0.33
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL21645126 1.00 TLR8 (0.58) TLR8TLR9TLR7ACVR1NSD2
SCHEMBL21645129 1.00 TLR8 (0.58) TLR8TLR9TLR7ACVR1NSD2
SCHEMBL21645300 0.88 TLR8 (0.42) TLR8TLR9TLR7ELANE
SCHEMBL21645301 0.88 TLR8 (0.42) TLR8TLR9TLR7ELANE
SCHEMBL21645302 0.88 TLR8 (0.42) TLR8TLR9TLR7ELANE
SCHEMBL23855097 0.86 TLR8 (0.42) TLR8TLR9TLR7ELANE
SCHEMBL21661231 0.86 TLR8 (0.42) TLR8TLR9TLR7ELANE
SCHEMBL21661233 0.86 TLR8 (0.42) TLR8TLR9TLR7ELANE
SCHEMBL19828894 0.85 TLR8 (0.51) TLR8TLR9TLR7ACVR1NSD2
SCHEMBL16634353 0.85 TLR8 (0.51) TLR8TLR9TLR7ACVR1NSD2

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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
EP-3830080-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2021-06-09 EP disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 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 (1 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885TLR9 3/4885TLR7 1/4885

“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.