SCHEMBL21999189

SCHEMBL21999189

Cn1c(-c2nc(C(=O)NC3CC3)ccc2S(C)(=O)=O)nc2cc(C(F)(F)F)nnc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ SCN9A Q15858 6/20 0.35
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ TYK2 P29597 1/20 0.33

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
SCHEMBL21999183 0.93 MAPK14 (0.34) F10MAPK14PDE4BPDE4DSCN9A
SCHEMBL21999184 0.91 DDR1 (0.37) F10MAPK14PDE4BPDE4DSCN9A
SCHEMBL21999338 0.88 SCN9A (0.34) SCN9AIRAK4
SCHEMBL21999360 0.86 DDR1 (0.37) SCN9ASCN7AKCNH2SCN5AIRAK4
SCHEMBL21998966 0.85 MAPK14 (0.33) MAPK14SCN9ASCN7AKCNH2SCN5A
SCHEMBL21998970 0.81 PTPN1 (0.32) SCN9A
SCHEMBL18498639 0.79 DDR1 (0.39) SCN9AIRAK4
SCHEMBL21999188 0.79 DDR1 (0.33) TYK2
SCHEMBL21999358 0.78 PIK3CD (0.32) —
SCHEMBL21999760 0.77 PIK3CG (0.31) —

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 F10 1316/4885MAPK14 3819/4885PDE4B 1136/4885
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES AHR, DDT, CYP8B1 F10 1316/4885MAPK14 3819/4885PDE4B 1136/4885

“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.

Send feedback