SCHEMBL21645148

SCHEMBL21645148

C[C@@H]1CN(c2cnc(C#N)c3ncccc23)C[C@H](CN)O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.37
TLR9 Q9NR96 10/20 0.37
TLR7 Q9NYK1 10/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.32
GRM1 Q13255 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL21645078 0.91 TSHR (0.38) TLR8TLR9TLR7TDP1TSHR
SCHEMBL21661048 0.91 TSHR (0.38) TLR8TLR9TLR7TDP1TSHR
SCHEMBL21645087 0.90 TDP1 (0.37) TLR8TLR9TLR7TDP1TSHR
SCHEMBL21661615 0.85 TLR9 (0.41) TLR8TLR9TLR7TDP1TSHR
SCHEMBL21661197 0.85 TLR8 (0.39) TLR8TLR9TLR7TDP1TSHR
SCHEMBL21661205 0.85 TLR8 (0.39) TLR8TLR9TLR7TDP1TSHR
SCHEMBL21661481 0.85 TDP1 (0.36) TLR8TLR9TLR7TDP1TSHR
SCHEMBL16633981 0.84 TLR8 (0.53) TLR8TLR9TLR7TDP1ALDH1A1
SCHEMBL20626592 0.84 TLR8 (0.53) TLR8TLR9TLR7TDP1ALDH1A1
SCHEMBL16664740 0.84 TLR8 (0.53) TLR8TLR9TLR7TDP1ALDH1A1

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.