SCHEMBL19783295

SCHEMBL19783295

Cn1c(=O)n(CC(F)(F)F)n(-c2ccc3nn(-c4cccnc4)cc3c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
MAT2A P31153 9/20 0.36
PTGS2 P35354 1/20 0.34
CYP11B2 P19099 2/20 0.33
ESR2 Q92731 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
DGAT1 O75907 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
CYP11B1 P15538 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
SCHEMBL21422263 0.85 TLR8 (0.37) TLR8MAT2APTGS2CYP11B2ESR2
SCHEMBL19783990 0.84 TLR8 (0.44) TLR8MAT2APTGS2CYP11B2ESR2
SCHEMBL19783867 0.77 CYP11B2 (0.37) TLR8MAT2APTGS2CYP11B2ESR2
SCHEMBL19783855 0.76 ADORA2A (0.40) TLR8MAT2ACYP11B2ESR2CYP11B1
SCHEMBL19783288 0.76 TLR8 (0.35) TLR8MAT2APTGS2CYP11B2ESR2
SCHEMBL19784123 0.75 TLR8 (0.37) TLR8MAT2APTGS2CYP11B2ESR2
SCHEMBL19783856 0.75 ESR2 (0.41) TLR8MAT2AESR2
SCHEMBL19784126 0.74 TLR8 (0.39) TLR8MAT2APTGS2CYP11B2ESR2
SCHEMBL21422279 0.74 ALDH1A1 (0.39) TLR8CYP11B2ESR2GRIN1GRIN2B
SCHEMBL19783858 0.74 TLR8 (0.45) TLR8MAT2APTGS2CYP11B2ESR2

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 3274/4885PTGS2 2595/4885

“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.