SCHEMBL19783856

SCHEMBL19783856

Cn1c(=O)n(-c2ccccc2)c(=O)n1-c1ccc2nn(-c3cccnc3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
TLR8 Q9NR97 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ALOX12 P18054 1/20 0.39
MDM2 Q00987 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
GSR P00390 1/20 0.35
G6PD P11413 1/20 0.34
MAPT P10636 5/20 0.33
MAT2A P31153 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL19783990 0.88 TLR8 (0.44) ESR2TLR8ALOX12ADORA3GSR
SCHEMBL21422279 0.86 ALDH1A1 (0.39) ESR2TLR8MAPTMAPK1ALDH1A1
SCHEMBL19783855 0.84 ADORA2A (0.40) ESR2TLR8ALOX12ADORA3MAPT
SCHEMBL19784126 0.84 TLR8 (0.39) ESR2TLR8ALOX12ADORA3GSR
SCHEMBL19783860 0.82 TLR8 (0.38) ESR2TLR8MAT2AMAPK1ALDH1A1
SCHEMBL19783289 0.81 TLR8 (0.37) ESR2TLR8MAT2AMAPK1ALDH1A1
SCHEMBL21422263 0.81 TLR8 (0.37) ESR2TLR8MAT2A
SCHEMBL19784123 0.81 TLR8 (0.37) ESR2TLR8MAT2AALDH1A1
SCHEMBL19783859 0.81 TLR8 (0.37) ESR2TLR8ALDH1A1
SCHEMBL19784119 0.81 USP2 (0.39) TLR8MAPTMAPK1ALDH1A1KMT2A

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 3552/4885GSK3A 2950/4885

“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.