SCHEMBL21999338

SCHEMBL21999338

CNC(=O)c1ccc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)F)nnc3n2C)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ IRAK4 Q9NWZ3 6/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RAF1 P04049 2/20 0.31
▸ BRAF P15056 2/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ PTGS2 P35354 4/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PTGS1 P23219 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
SCHEMBL21998970 0.93 PTPN1 (0.32) SCN9APTPN1
SCHEMBL18498639 0.91 DDR1 (0.39) SCN9APTPN1IRAK4DDR1
SCHEMBL21999360 0.90 DDR1 (0.37) SCN9AIRAK4ALDH1A1DDR1
SCHEMBL21999189 0.88 F10 (0.36) SCN9AIRAK4
SCHEMBL21999358 0.85 PIK3CD (0.32) PDE2APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21999758 0.84 PDE2A (0.30) PDE2A
SCHEMBL21998965 0.83 DDR1 (0.35) SCN9APTPN1DDR1
SCHEMBL21999188 0.83 DDR1 (0.33) PDE2ADDR1
SCHEMBL21999183 0.81 MAPK14 (0.34) SCN9A
SCHEMBL21999760 0.80 PIK3CG (0.31) PDE2APTGS2PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11089783-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-17 — — US disclosed
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-05-14 — — US 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-11089783-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides AHR, DDT, CYP8B1 SCN9A 2083/4885PTPN1 1739/4885IRAK4 3604/4885
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES AHR, DDT, CYP8B1 SCN9A 2083/4885PTPN1 1739/4885IRAK4 3604/4885

“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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