SCHEMBL19783973

SCHEMBL19783973

O=c1cnn(-c2ccc3nn(-c4cccnc4)cc3c2)c(=O)n1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.36
TLR8 Q9NR97 1/20 0.35
ESR2 Q92731 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CA P42336 1/20 0.31
GHSR Q92847 4/20 0.31
USP1 O94782 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
CYP11B2 P19099 1/20 0.30
MTOR P42345 1/20 0.30
KHK P50053 1/20 0.30
RIPK2 O43353 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 0.86 ADORA2A (0.39) MAT2ATLR8ESR2CYP2A6ADORA2A
SCHEMBL19783974 0.84 POLB (0.38) TLR8ESR2CYP2A6KDM4EALDH1A1
SCHEMBL19783867 0.84 CYP11B2 (0.37) MAT2ATLR8ESR2CYP2A6ADORA2A
SCHEMBL21422259 0.83 ESR2 (0.39) TLR8ESR2CYP2A6ALDH1A1CYP11B2
SCHEMBL19783857 0.81 TLR8 (0.36) MAT2ATLR8ESR2ALDH1A1GHSR
SCHEMBL19783858 0.81 TLR8 (0.45) MAT2ATLR8ESR2CYP2A6NPSR1
SCHEMBL19783854 0.81 TLR8 (0.38) TLR8ESR2CYP2A6ALDH1A1HSD17B10
SCHEMBL19783977 0.80 ESR2 (0.41) TLR8ESR2CYP2A6ALDH1A1CYP11B2
SCHEMBL21422266 0.74 ADORA2A (0.39) MAT2ATLR8CYP2A6ADORA2AADORA2B
SCHEMBL19783860 0.72 TLR8 (0.38) MAT2ATLR8ESR2ALDH1A1HSD17B10

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 MAT2A 3274/4885TLR8 3552/4885ESR2 3670/4885

“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.