SCHEMBL21999358

SCHEMBL21999358

CNC(=O)Nc1ccc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)F)nnc3n2C)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ FRK P42685 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ MST1R Q04912 1/20 0.31
▸ STK3 Q13188 1/20 0.31
▸ PTK6 Q13882 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ MINK1 Q8N4C8 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
SCHEMBL21999178 0.93 — —
SCHEMBL21796218 0.91 DDR1 (0.33) PRKD3PRKCGCDK1CDK2FLT4
SCHEMBL21999760 0.88 PIK3CG (0.31) PIK3CDPIK3CAPIK3CBPIK3CGPDE2A
SCHEMBL21999338 0.85 SCN9A (0.34) PIK3CDPIK3CAPIK3CBPIK3CGPDE2A
SCHEMBL23398096 0.84 PRKD3 (0.31) PRKD3PRKCGCDK1CDK2FLT4
SCHEMBL21796216 0.84 RORC (0.31) —
SCHEMBL29774752 0.84 RORC (0.31) —
SCHEMBL21999932 0.83 PIK3CA (0.37) PIK3CAAURKB
SCHEMBL21999758 0.83 PDE2A (0.30) PDE2A
SCHEMBL28359602 0.82 ACVR1 (0.31) PRKD3PRKCGCDK1CDK2FLT4

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 4 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
EP-3619212-B1 2- (HET) ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2021-05-26 — — EP disclosed
US-20200148686-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-05-14 — — 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 (3 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-20200148686-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES HRH4, AHR, DDT PIK3CD 2356/4885PIK3CA 2037/4885PIK3CB 2848/4885
US-11089783-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides AHR, DDT, CYP8B1 PIK3CD 1686/4885PIK3CA 1318/4885PIK3CB 2274/4885
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES AHR, DDT, CYP8B1 PIK3CD 1686/4885PIK3CA 1318/4885PIK3CB 2274/4885

“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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