SCHEMBL20386811

SCHEMBL20386811

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(C2CCCCC2)n1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.40
▸ TLR7 Q9NYK1 2/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ RORC P51449 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ KCNH2 Q12809 2/20 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
SCHEMBL20386958 0.95 CNR2 (0.36) CNR2RORCCYP11B1CYP11B2MCHR1
SCHEMBL20386813 0.92 CNR2 (0.34) CNR2RORCCYP11B1CYP11B2MCHR1
SCHEMBL20386808 0.91 CNR2 (0.35) CNR2RORCMCHR1KCNH2
SCHEMBL20386807 0.90 CNR2 (0.32) CNR2RORCCYP11B1CYP11B2MCHR1
SCHEMBL20386962 0.88 CNR2 (0.38) CNR2RORCCYP11B1CYP11B2KCNH2
SCHEMBL20386960 0.86 CNR2 (0.33) CNR2RORCCYP11B1CYP11B2MCHR1
SCHEMBL19876674 0.84 NR1H2 (0.32) CNR2RORCCYP11B1CYP11B2MCHR1
SCHEMBL19888424 0.84 NR1H2 (0.32) CNR2RORCCYP11B1CYP11B2
SCHEMBL29683582 0.84 NR1H2 (0.32) CNR2RORCCYP11B1CYP11B2MCHR1
SCHEMBL20386941 0.83 TLR7 (0.36) CNR2TLR7ALOX5APMCHR1

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-110382485-B Heterocyclene derivatives as pest control agents 拜耳公司 2022-05-10 — — CN disclosed
US-11058115-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-07-13 — — US disclosed
US-11058115-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-07-13 — — US disclosed
EP-3568392-B1 IMIDAZOLE DERIVATIVES AS PEST CONTROL AGENTS BAYER AG (DE) 2021-02-24 — — EP disclosed
EP-3568392-B1 IMIDAZOLE DERIVATIVES AS PEST CONTROL AGENTS BAYER AG (DE) 2021-02-24 — — EP disclosed
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-20 — — US disclosed
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-20 — — US disclosed
WO-2018130437-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-07-19 — — 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-11058115-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 CNR2 624/4885TLR7 3336/4885TLR8 4678/4885
US-20200054017-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 CNR2 624/4885TLR7 3336/4885TLR8 4678/4885

“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.

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