SCHEMBL17802477

SCHEMBL17802477

Cc1ccc(-c2ccc3nn(-c4cccnc4)cc3c2)cc1SCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
GRM1 Q13255 2/20 0.37
GRIN2B Q13224 3/20 0.34
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
FAAH O00519 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN1 Q05586 2/20 0.32
DGAT1 O75907 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL17802467 0.90 TLR8 (0.40) TLR8GRM1CYP11B2CYP11B1ESR2
SCHEMBL17803456 0.89 TLR8 (0.39) TLR8GRM1GRIN2BCYP11B2CYP11B1
SCHEMBL17802469 0.88 TLR8 (0.39) TLR8GRM1GRIN2BCYP11B2CYP11B1
SCHEMBL17802459 0.82 BRAF (0.43) IRAK4ALDH1A1
SCHEMBL17803435 0.81 TP53 (0.35) TLR8GRM1GRIN2BFAAHKCNH2
SCHEMBL17802454 0.80 TLR8 (0.39) TLR8GRM1GRIN2BCYP11B2CYP11B1
SCHEMBL17812271 0.78 TEK (0.42) DGAT1IRAK4ALDH1A1
SCHEMBL17803425 0.78 TLR8 (0.38) TLR8GRIN2BCYP11B2GRIN1ALDH1A1
SCHEMBL17802506 0.76 CYP11B2 (0.50) TLR8CYP11B2CYP11B1CYP19A1ESR2
SCHEMBL17811752 0.76 MAT2A (0.39) TLR8GRM1CYP11B2ESR2IRAK4

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 8 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
EP-3227274-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-10-11 EP disclosed
WO-2016087421-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO 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 TLR8 1803/4885GRM1 1370/4885GRIN2B 2226/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TLR8 1803/4885GRM1 1370/4885GRIN2B 2226/4885

“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.