SCHEMBL21661571

SCHEMBL21661571

C[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](CN2CC[C@@H](O)C2)O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.45
TLR8 Q9NR97 7/20 0.45
TLR7 Q9NYK1 7/20 0.45
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
NSD2 O96028 1/20 0.37
AR P10275 3/20 0.35
KDM4E B2RXH2 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
KCNMA1 Q12791 2/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
HTT P42858 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
SCHEMBL21661161 1.00 TLR9 (0.45) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL23855159 1.00 TLR9 (0.45) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21661573 0.95 TLR9 (0.46) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21661575 0.95 TLR9 (0.46) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21660930 0.92 TLR8 (0.44) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL21660929 0.92 TLR8 (0.44) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL16633876 0.89 TLR8 (0.48) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL16634346 0.89 TLR8 (0.48) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL16633879 0.89 TLR8 (0.48) TLR9TLR8TLR7ALDH1A1SMN1; SMN2
SCHEMBL16634348 0.89 TLR8 (0.48) 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.