SCHEMBL17696232

SCHEMBL17696232

CCS(=O)(=O)c1cc(-n2ccc(C(F)(F)F)n2)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.30
▸ BCL6 P41182 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ USP1 O94782 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
SCHEMBL20182715 0.89 POLB (0.39) NPC1MAPTIDH1IDH2PRMT6
SCHEMBL17553650 0.86 NPC1 (0.33) NPC1MAPTIDH1IDH2PRMT6
SCHEMBL17640652 0.83 PDE2A (0.33) IDH1PDE10A
SCHEMBL17696230 0.82 ELANE (0.31) —
SCHEMBL17688763 0.82 PTGS2 (0.32) USP1
SCHEMBL20567951 0.82 POLB (0.32) USP1
SCHEMBL19240683 0.82 NPC1 (0.32) NPC1MAPTIDH1IDH2PRMT6
SCHEMBL22912032 0.81 LRRK2 (0.36) USP1
SCHEMBL19366987 0.80 CNR2 (0.31) —
SCHEMBL17696196 0.80 PTGS2 (0.36) USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-01-28 — — US disclosed
US-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-01-28 — — US disclosed
EP-3207044-B1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-07-25 — — EP disclosed
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-24 — — US disclosed
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-24 — — US disclosed
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-24 — — US disclosed
WO-2016059145-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 — — 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 (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-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents DDT, ACHE, TST NPC1 2440/4885MAPT 1046/4885IDH1 238/4885
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, TST NPC1 2440/4885MAPT 1046/4885IDH1 238/4885

“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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