SCHEMBL21422263

SCHEMBL21422263

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAT2A P31153 7/20 0.36
ESR2 Q92731 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGS2 P35354 1/20 0.32
ELANE P08246 1/20 0.32
DGAT1 O75907 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
METAP2 P50579 2/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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 0.88 ADORA2A (0.40) TLR8CYP11B2MAT2AESR2ADORA2A
SCHEMBL19784123 0.86 TLR8 (0.37) TLR8CYP11B2MAT2AESR2ADORA2A
SCHEMBL21422279 0.85 ALDH1A1 (0.39) TLR8CYP11B2ESR2ADORA2AGRIN1
SCHEMBL19783295 0.85 TLR8 (0.39) TLR8CYP11B2MAT2AESR2PTGS2
SCHEMBL19783859 0.85 TLR8 (0.37) TLR8ESR2ADORA2AADORA2BADORA1
SCHEMBL19783289 0.85 TLR8 (0.37) TLR8MAT2AESR2ADORA2AADORA2B
SCHEMBL19783857 0.84 TLR8 (0.36) TLR8MAT2AESR2ADORA2AADORA2B
SCHEMBL19784121 0.84 HIF1A (0.39) TLR8CYP11B2MAT2AGRIN1GRIN2B
SCHEMBL19783990 0.84 TLR8 (0.44) TLR8CYP11B2MAT2AESR2ADORA2A
SCHEMBL19783293 0.83 TLR8 (0.36) TLR8ESR2ADORA2AADORA2BADORA1

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 2 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

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 3552/4885CYP11B2 87/4885MAT2A 3274/4885

“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.