SCHEMBL17811752

SCHEMBL17811752

FC(F)(F)Cn1cc(-c2ccc3nn(-c4cccnc4)cc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.39
CYP11B2 P19099 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ESR2 Q92731 1/20 0.36
TTK P33981 1/20 0.35
TBK1 Q9UHD2 3/20 0.34
ACSS2 Q9NR19 1/20 0.34
MET P08581 3/20 0.34
CYP2A6 P11509 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PI4KA P42356 3/20 0.33
PIK3CG P48736 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
GRM1 Q13255 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
SCHEMBL17802481 0.80 DYRK1A (0.46) TLR8ESR2METPIK3CDPIK3CA
SCHEMBL17802506 0.79 CYP11B2 (0.50) CYP11B2TLR8ESR2TBK1MET
SCHEMBL17802477 0.76 TLR8 (0.39) CYP11B2TLR8ESR2CYP2A6IRAK4
SCHEMBL17802454 0.75 TLR8 (0.39) CYP11B2TLR8ESR2GRM1
SCHEMBL17802482 0.74 GRM1 (0.44) TLR8ESR2CYP2A6PIK3CDPI4KA
SCHEMBL19581887 0.74 ESR2 (0.43) CYP11B2TLR8ESR2CYP2A6
SCHEMBL31692731 0.74 ESR2 (0.41) CYP11B2TLR8ESR2CYP2A6PIK3CD
SCHEMBL31692744 0.73 CYP2A6 (0.51) CYP11B2TLR8ESR2CYP2A6GRM1
SCHEMBL17802532 0.73 MCL1 (0.41) TLR8ESR2METGRM1
SCHEMBL19783867 0.73 CYP11B2 (0.37) MAT2ACYP11B2TLR8ESR2CYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
US-10131649-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
WO-2016087421-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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 (2 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-10131649-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 MAT2A 3491/4885CYP11B2 511/4885L3MBTL1 169/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 MAT2A 3491/4885CYP11B2 511/4885L3MBTL1 169/4885

“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.