SCHEMBL21999184

SCHEMBL21999184

CCS(=O)(=O)c1ccc(C(=O)NC2CC2)nc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.37
▸ MAPK14 Q16539 2/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ SCN9A Q15858 6/20 0.34
▸ SCN7A Q01118 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ TTR P02766 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
SCHEMBL21998966 0.93 MAPK14 (0.33) DDR1MAPK14SCN9ASCN7AKCNH2
SCHEMBL21999189 0.91 F10 (0.36) MAPK14PDE4BPDE4DSCN9ASCN7A
SCHEMBL18498639 0.89 DDR1 (0.39) DDR1SCN9AIRAK4
SCHEMBL18506249 0.85 DDR1 (0.35) DDR1
SCHEMBL21999183 0.85 MAPK14 (0.34) MAPK14PDE4BPDE4DSCN9ASCN7A
SCHEMBL21999359 0.83 DDR1 (0.34) DDR1
SCHEMBL21998965 0.82 DDR1 (0.35) DDR1SCN9A
SCHEMBL17941542 0.81 CNR2 (0.33) KCNH2
SCHEMBL21796211 0.81 DDR1 (0.38) DDR1
SCHEMBL21999360 0.81 DDR1 (0.37) DDR1SCN9ASCN7AKCNH2SCN5A

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 2201/4885MAPK14 3819/4885PDE4B 1136/4885
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES AHR, DDT, CYP8B1 DDR1 2201/4885MAPK14 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.

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