SCHEMBL21999360

SCHEMBL21999360

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 2/20 0.37
▸ IRAK4 Q9NWZ3 5/20 0.33
▸ SCN9A Q15858 5/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2A Q12879 3/20 0.32
▸ SCN7A Q01118 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ GRIA2 P42262 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
SCHEMBL21999188 0.93 DDR1 (0.33) DDR1CNR1TYK2
SCHEMBL21999338 0.90 SCN9A (0.34) DDR1IRAK4SCN9AALDH1A1
SCHEMBL21796211 0.86 DDR1 (0.38) DDR1CNR1
SCHEMBL21999189 0.86 F10 (0.36) IRAK4SCN9ASCN7AKCNH2SCN5A
SCHEMBL18498639 0.84 DDR1 (0.39) DDR1IRAK4SCN9A
SCHEMBL21998970 0.83 PTPN1 (0.32) SCN9A
SCHEMBL21999184 0.81 DDR1 (0.37) DDR1IRAK4SCN9ASCN7AKCNH2
SCHEMBL18506249 0.81 DDR1 (0.35) DDR1ALDH1A1HSD17B10
SCHEMBL21999183 0.79 MAPK14 (0.34) SCN9ASCN7AKCNH2SCN5ATYK2
SCHEMBL21999358 0.79 PIK3CD (0.32) —

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 DDR1 2201/4885IRAK4 3604/4885SCN9A 2083/4885
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES AHR, DDT, CYP8B1 DDR1 2201/4885IRAK4 3604/4885SCN9A 2083/4885

“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