SCHEMBL21645151

SCHEMBL21645151

C[C@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](CO)O1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.47
TLR9 Q9NR96 11/20 0.47
TLR7 Q9NYK1 11/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.37
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AR P10275 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
SCHEMBL19000122 1.00 TLR8 (0.47) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL21645213 0.89 TLR8 (0.47) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL18980121 0.88 ALDH1A1 (0.54) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL19021887 0.88 ALDH1A1 (0.54) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634109 0.87 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634353 0.87 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL19828894 0.87 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633347 0.87 TLR8 (0.51) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL21660929 0.86 TLR8 (0.44) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL21660930 0.86 TLR8 (0.44) 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
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
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.