SCHEMBL21645302

SCHEMBL21645302

N#Cc1ccc(N2CC(CO)OC(C(F)(F)F)C2)c2nccnc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.42
TLR9 Q9NR96 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
SCN10A Q9Y5Y9 2/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL21645301 1.00 TLR8 (0.42) TLR8TLR9TLR7SCN10AALDH1A1
SCHEMBL21645300 1.00 TLR8 (0.42) TLR8TLR9TLR7SCN10AALDH1A1
SCHEMBL21645129 0.88 TLR8 (0.58) TLR8TLR9TLR7ELANE
SCHEMBL21645126 0.88 TLR8 (0.58) TLR8TLR9TLR7ELANE
SCHEMBL21645127 0.88 TLR8 (0.58) TLR8TLR9TLR7ELANE
SCHEMBL23855087 0.87 TLR8 (0.39) TLR8TLR9TLR7SCN10A
SCHEMBL21661485 0.87 TLR8 (0.39) TLR8TLR9TLR7SCN10A
SCHEMBL23855210 0.87 TLR8 (0.39) TLR8TLR9TLR7SCN10A
SCHEMBL21645151 0.84 TLR8 (0.47) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL19000122 0.84 TLR8 (0.47) TLR8TLR9TLR7ALDH1A1GAA

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 5 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
CN-112513024-A TLR7/8 antagonists and uses thereof 默克专利股份公司 2021-03-16 CN disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO 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.