SCHEMBL19783867

SCHEMBL19783867

O=c1cnn(-c2ccc3nn(-c4cccnc4)cc3c2)c(=O)n1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.37
MAT2A P31153 2/20 0.36
TLR8 Q9NR97 1/20 0.35
ESR2 Q92731 1/20 0.33
METAP2 P50579 2/20 0.32
DGAT1 O75907 1/20 0.32
GRM1 Q13255 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP2A6 P11509 1/20 0.30
AHR P35869 1/20 0.30
PIM1 P11309 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
SCHEMBL19783976 0.87 ADORA2A (0.39) CYP11B2MAT2ATLR8ESR2DGAT1
SCHEMBL19783974 0.85 POLB (0.38) CYP11B2TLR8ESR2ADORA2ACYP2A6
SCHEMBL19783973 0.84 MAT2A (0.36) CYP11B2MAT2ATLR8ESR2ADORA2A
SCHEMBL19783854 0.82 TLR8 (0.38) CYP11B2TLR8ESR2GRM1CYP2A6
SCHEMBL21422259 0.82 ESR2 (0.39) CYP11B2TLR8ESR2GRM1CYP2A6
SCHEMBL19783858 0.82 TLR8 (0.45) CYP11B2MAT2ATLR8ESR2GRM1
SCHEMBL19783977 0.81 ESR2 (0.41) CYP11B2TLR8ESR2GRM1CYP2A6
SCHEMBL21422263 0.81 TLR8 (0.37) CYP11B2MAT2ATLR8ESR2METAP2
SCHEMBL19783295 0.77 TLR8 (0.39) CYP11B2MAT2ATLR8ESR2DGAT1
SCHEMBL17811752 0.73 MAT2A (0.39) CYP11B2MAT2ATLR8ESR2GRM1

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 CYP11B2 87/4885MAT2A 3274/4885TLR8 3552/4885

“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.