SCHEMBL19783857

SCHEMBL19783857

Cn1c(=O)n(CC2CC2)c(=O)n1-c1ccc2nn(-c3cccnc3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
MAT2A P31153 3/20 0.36
CNR2 P34972 2/20 0.33
USP1 O94782 1/20 0.33
ESR2 Q92731 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 1/20 0.32
GHSR Q92847 2/20 0.31
BRD4 O60885 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL19783855 0.87 ADORA2A (0.40) TLR8MAT2AESR2ADORA2AADORA2B
SCHEMBL19783862 0.86 TLR8 (0.36) TLR8MAT2ACNR2USP1ADORA2A
SCHEMBL21422279 0.85 ALDH1A1 (0.39) TLR8ESR2ADORA2AALDH1A1LMNA
SCHEMBL19783293 0.84 TLR8 (0.36) TLR8ESR2ADORA2AADORA2BADORA1
SCHEMBL21422263 0.84 TLR8 (0.37) TLR8MAT2AESR2ADORA2AADORA2B
SCHEMBL19784123 0.84 TLR8 (0.37) TLR8MAT2AESR2ADORA2AADORA2B
SCHEMBL19783859 0.84 TLR8 (0.37) TLR8ESR2ADORA2AADORA2BADORA1
SCHEMBL19783289 0.84 TLR8 (0.37) TLR8MAT2AESR2ADORA2AADORA2B
SCHEMBL19783860 0.83 TLR8 (0.38) TLR8MAT2AESR2ALDH1A1
SCHEMBL19784121 0.83 HIF1A (0.39) TLR8MAT2AALDH1A1BRD4

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
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
US-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-03 US disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 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-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES DDT, BCHE, ACHE TLR8 3552/4885MAT2A 3274/4885CNR2 1274/4885

“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.