SCHEMBL18819841

SCHEMBL18819841

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ PTGS2 P35354 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ TRPM8 Q7Z2W7 2/20 0.34
▸ DDR1 Q08345 2/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ GRM2 Q14416 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
SCHEMBL18819838 0.92 POLB (0.36) POLBPTGS2PDE10ATRPM8ACSS2
SCHEMBL25106818 0.90 POLB (0.43) POLBPDE10ADDR1GRIN1GRIN2B
SCHEMBL18819868 0.90 POLB (0.43) POLBPDE10ADDR1GRIN1GRIN2B
SCHEMBL25106704 0.89 POLB (0.42) POLBPDE10ATRPM8DDR1LMNA
SCHEMBL25106702 0.89 POLB (0.41) POLBPTGS2LMNAHTTALDH1A1
SCHEMBL25106687 0.88 POLB (0.41) POLBDDR1HTTKMT2AKDM4E
SCHEMBL25106694 0.88 POLB (0.41) POLBPDE10ADDR1GRIN1GRIN2B
SCHEMBL25106936 0.88 POLB (0.41) POLBDDR1LMNAHTTPKM
SCHEMBL25106815 0.87 POLB (0.40) POLBPDE10ADDR1KMT2AGRIN1
SCHEMBL18819840 0.87 POLB (0.41) POLBPTGS2PDE10APTGS1GRIN1

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-20220204499-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-06-30 — — US disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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-20220204499-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BCHE, C1R, C1S POLB 3145/4885PTGS2 1742/4885PDE10A 956/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE POLB 3595/4885PTGS2 2306/4885PDE10A 702/4885

“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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