SCHEMBL19783289

SCHEMBL19783289

COCCn1c(=O)n(C)n(-c2ccc3nn(-c4cccnc4)cc3c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
ADORA2B P29275 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 11/20 0.34
ALDH1A1 P00352 10/20 0.34
HSD17B10 Q99714 7/20 0.34
CYP3A4 P08684 10/20 0.33
CYP2C9 P11712 3/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C19 P33261 6/20 0.33
MAPK1 P28482 5/20 0.33
GLA P06280 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
USP2 O75604 2/20 0.33
CASP1 P29466 2/20 0.33
MAT2A P31153 1/20 0.33
ALOX15 P16050 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 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
SCHEMBL19783855 0.88 ADORA2A (0.40) TLR8ADORA2BCYP3A4CYP2C9PDE10A
SCHEMBL19783859 0.86 TLR8 (0.37) TLR8ADORA2BALDH1A1PDE10AESR2
SCHEMBL21422279 0.85 ALDH1A1 (0.39) TLR8LMNACYP1A2ALDH1A1CYP3A4
SCHEMBL19783293 0.85 TLR8 (0.36) TLR8ADORA2BESR2ADORA2AADORA1
SCHEMBL19784123 0.85 TLR8 (0.37) TLR8ADORA2BALDH1A1MAT2AESR2
SCHEMBL21422263 0.85 TLR8 (0.37) TLR8ADORA2BPDE10AMAT2AESR2
SCHEMBL19783857 0.84 TLR8 (0.36) TLR8ADORA2BLMNAALDH1A1MAT2A
SCHEMBL19784121 0.84 HIF1A (0.39) TLR8ALDH1A1CYP3A4MAT2A
SCHEMBL19783990 0.84 TLR8 (0.44) TLR8ADORA2BCYP3A4MAT2AHTT
SCHEMBL19784119 0.82 USP2 (0.39) TLR8LMNAPOLBCYP1A2ALDH1A1

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 TLR8 3552/4885ADORA2B 4249/4885LMNA 680/4885

“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.