SCHEMBL19209943

SCHEMBL19209943

CCS(=O)(=O)c1ccc(N)nc1-n1cc2cnc(C(F)(F)F)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ DDR1 Q08345 8/20 0.33
▸ USP1 O94782 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ SDHB P21912 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MINK1 Q8N4C8 1/20 0.30
▸ PI4KB Q9UBF8 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
SCHEMBL20687621 0.86 DDR1 (0.34) KCNH2DDR1USP1EGLN1S1PR1
SCHEMBL19250864 0.86 DDR1 (0.32) KCNH2DDR1USP1EGLN1S1PR1
SCHEMBL17504806 0.85 TRPV1 (0.37) KCNH2DDR1USP1EGLN1
SCHEMBL19250867 0.85 DDR1 (0.35) DDR1USP1EGLN1S1PR1
SCHEMBL19209965 0.84 KCNH2 (0.35) KCNH2DDR1USP1EGLN1
SCHEMBL19209973 0.83 KCNH2 (0.36) KCNH2DDR1USP1EGLN1
SCHEMBL20687606 0.83 KCNH2 (0.34) KCNH2DDR1USP1EGLN1MAP4K4
SCHEMBL17504811 0.82 DDR1 (0.39) KCNH2DDR1USP1EGLN1SDHB
SCHEMBL20687613 0.82 GRN (0.35) DDR1USP1EGLN1
SCHEMBL19250870 0.82 DDR1 (0.36) DDR1USP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031667-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-31 — — US disclosed
US-20190031667-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-31 — — US disclosed
EP-3411373-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2018-12-12 — — EP disclosed
WO-2017134066-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-10 — — WO disclosed
WO-2017134066-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-10 — — WO 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 (1 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-20190031667-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 KCNH2 1648/4885DDR1 4470/4885USP1 1798/4885

“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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