SCHEMBL22280676

SCHEMBL22280676

CCS(=O)(=O)c1ccc(N)nc1-c1nc2cc(C(F)(F)F)nc(C#N)c2n1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 3/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ DDR1 Q08345 5/20 0.32
▸ SDHB P21912 1/20 0.31
▸ EIF4EBP1 Q13541 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL29521486 0.91 DDR1 (0.35) DDR1EIF4EBP1
SCHEMBL20455821 0.91 DDR1 (0.35) DDR1EIF4EBP1
SCHEMBL20468526 0.83 ALDH1A1 (0.32) DDR1
SCHEMBL22280771 0.83 DDR1 (0.33) DDR1EIF4EBP1
SCHEMBL22419059 0.82 DDR1 (0.33) DDR1SDHB
SCHEMBL20455829 0.82 SMN1; SMN2 (0.35) DDR1EIF4EBP1
SCHEMBL20465926 0.82 ALDH1A1 (0.32) EIF4EBP1
SCHEMBL17967732 0.79 KCNH2 (0.38) DDR1SDHBKCNH2
SCHEMBL31534718 0.79 KCNH2 (0.38) DDR1SDHBKCNH2
SCHEMBL20455824 0.78 DDR1 (0.34) DDR1EIF4EBP1

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-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2020-09-15 — — US disclosed
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 — — 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-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP1A2 FEN1 2140/4885ALOX5AP 580/4885DDR1 2858/4885
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 FEN1 2140/4885ALOX5AP 580/4885DDR1 2858/4885

“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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