SCHEMBL19783977

SCHEMBL19783977

O=c1cnn(-c2ccc3nn(-c4cccnc4)cc3c2)c(=O)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
TLR8 Q9NR97 1/20 0.38
ALOX12 P18054 1/20 0.37
GRM1 Q13255 1/20 0.36
USP8 P40818 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
MDM2 Q00987 1/20 0.34
CYP11B2 P19099 1/20 0.33
CYP2A6 P11509 1/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE7A Q13946 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.32
GSK3A P49840 1/20 0.32

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
SCHEMBL19783854 0.86 TLR8 (0.38) ESR2TLR8ALOX12GRM1USP8
SCHEMBL21422259 0.86 ESR2 (0.39) ESR2TLR8GRM1USP8ADORA3
SCHEMBL19783858 0.86 TLR8 (0.45) ESR2TLR8ALOX12GRM1USP8
SCHEMBL19783974 0.85 POLB (0.38) ESR2TLR8MDM2CYP11B2CYP2A6
SCHEMBL19783976 0.83 ADORA2A (0.39) ESR2TLR8ALOX12GRM1CYP11B2
SCHEMBL19783867 0.81 CYP11B2 (0.37) ESR2TLR8GRM1CYP11B2CYP2A6
SCHEMBL19783973 0.80 MAT2A (0.36) ESR2TLR8CYP11B2CYP2A6ALDH1A1
SCHEMBL19783856 0.79 ESR2 (0.41) ESR2TLR8ALOX12ADORA3MDM2
SCHEMBL30667413 0.74 TLR8 (0.41) ESR2TLR8ALOX12RAB9AMAPT
SCHEMBL26684121 0.74 TLR8 (0.41) ESR2TLR8ALOX12RAB9AMAPT

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 ESR2 3670/4885TLR8 3552/4885ALOX12 2944/4885

“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.