SCHEMBL21998966

SCHEMBL21998966

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ HPGDS O60760 1/20 0.32
▸ SMYD3 Q9H7B4 2/20 0.32
▸ TTK P33981 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ SCN7A Q01118 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 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
SCHEMBL21999184 0.93 DDR1 (0.37) MAPK14DDR1HPGDSSCN9ASCN7A
SCHEMBL21999183 0.92 MAPK14 (0.34) MAPK14HPGDSHPGDSCN9ASCN7A
SCHEMBL21998965 0.89 DDR1 (0.35) DDR1RORCSCN9A
SCHEMBL21796211 0.88 DDR1 (0.38) DDR1CNR1CNR2RORC
SCHEMBL21998968 0.87 DDR1 (0.30) DDR1CNR2
SCHEMBL21796209 0.85 DDR1 (0.31) DDR1CNR2RORC
SCHEMBL29774756 0.85 DDR1 (0.31) DDR1CNR2RORC
SCHEMBL21999189 0.85 F10 (0.36) MAPK14HPGDSSCN9ASCN7AKCNH2
SCHEMBL31003479 0.85 HPGDS (0.37) HPGDSTTKRIPK2
SCHEMBL21998969 0.84 CNR2 (0.31) CNR2

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 MAPK14 3819/4885DDR1 2201/4885HPGDS 647/4885
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES AHR, DDT, CYP8B1 MAPK14 3819/4885DDR1 2201/4885HPGDS 647/4885

“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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