SCHEMBL20393764

SCHEMBL20393764

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2ccnnc2)n1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PTGS2 P35354 7/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP11B1 P15538 2/20 0.32
▸ KIT P10721 1/20 0.31

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
SCHEMBL20393848 0.90 MEN1 (0.39) CA12CA9CA1CA2KCNH2
SCHEMBL20393843 0.88 PTGS2 (0.46) CYP11B2PTGS2PTGS1CYP11B1KIT
SCHEMBL20393708 0.87 PTGS2 (0.40) CA12CA9CA1CA2KCNH2
SCHEMBL20393695 0.86 KCNH2 (0.38) CA12CA9CA1CA2CYP11B2
SCHEMBL19366922 0.86 KCNH2 (0.35) CA12CA9CA1CA2CYP11B2
SCHEMBL20393637 0.86 PTGS2 (0.44) CA12CA9CA1CA2KCNH2
SCHEMBL20393710 0.85 PTGS2 (0.42) CA12CA9CA1CA2KCNH2
SCHEMBL21715819 0.85 CA1 (0.39) CA12CA9CA1CA2KCNH2
SCHEMBL20393759 0.85 CA12 (0.34) CA12CA9CA1CA2CYP11B2
SCHEMBL21715691 0.85 CA1 (0.39) CA12CA9CA1CA2KCNH2

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
US-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
WO-2018130443-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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 CA12 3994/4885CA9 3867/4885CA1 1147/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 CA12 3994/4885CA9 3867/4885CA1 1147/4885

“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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