SCHEMBL21661573

SCHEMBL21661573

C[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](CN2CCC(O)CC2)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.46
TLR8 Q9NR97 7/20 0.46
TLR7 Q9NYK1 7/20 0.46
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.37
KCNMA1 Q12791 1/20 0.35
NSD2 O96028 1/20 0.34
AR P10275 4/20 0.34
HTT P42858 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
USP14 P54578 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
SCHEMBL21661575 1.00 TLR9 (0.46) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21661161 0.95 TLR9 (0.45) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21661571 0.95 TLR9 (0.45) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL23855159 0.95 TLR9 (0.45) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21660929 0.91 TLR8 (0.44) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21660930 0.91 TLR8 (0.44) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21661162 0.90 TLR8 (0.45) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL16633950 0.89 TLR8 (0.49) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL16633952 0.89 TLR8 (0.49) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21661163 0.88 TLR9 (0.49) TLR9TLR8TLR7ALDH1A1SMN1; SMN2

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
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US 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 TLR9 3/4885TLR8 2/4885TLR7 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.