SCHEMBL19783858

SCHEMBL19783858

Cn1c(=O)cnn(-c2ccc3nn(-c4cccnc4)cc3c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
ESR2 Q92731 1/20 0.36
GRM1 Q13255 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP11B2 P19099 2/20 0.34
P2RX7 Q99572 1/20 0.34
PTGS2 P35354 2/20 0.33
GSR P00390 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ALOX12 P18054 1/20 0.33
SCN9A Q15858 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
CYP11B1 P15538 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
MAT2A P31153 2/20 0.32
USP8 P40818 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL21422259 0.87 ESR2 (0.39) TLR8ESR2GRM1CYP2A6CYP11B2
SCHEMBL19783854 0.87 TLR8 (0.38) TLR8ESR2GRM1CYP2A6CYP11B2
SCHEMBL19783976 0.86 ADORA2A (0.39) TLR8ESR2GRM1CYP2A6CYP11B2
SCHEMBL19783977 0.86 ESR2 (0.41) TLR8ESR2GRM1CYP2A6CYP11B2
SCHEMBL26684121 0.83 TLR8 (0.41) TLR8ESR2PTGS2GSRALOX12
SCHEMBL30667413 0.83 TLR8 (0.41) TLR8ESR2PTGS2GSRALOX12
SCHEMBL19783974 0.82 POLB (0.38) TLR8ESR2CYP2A6CYP11B2ADORA2A
SCHEMBL19783867 0.82 CYP11B2 (0.37) TLR8ESR2GRM1CYP2A6CYP11B2
SCHEMBL19783973 0.81 MAT2A (0.36) TLR8ESR2CYP2A6CYP11B2ADORA2A
SCHEMBL19783990 0.80 TLR8 (0.44) TLR8ESR2CYP2A6CYP11B2PTGS2

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
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
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
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 3552/4885ESR2 3670/4885GRM1 758/4885

“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.