SCHEMBL18050232

SCHEMBL18050232

CCSc1c(-c2nc3cc(C(F)(F)F)ccc3n2C)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 1/20 0.40
▸ CNR2 P34972 3/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ SCN4A P35499 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ PDE2A O00408 1/20 0.33

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
SCHEMBL18072963 0.88 ALDH1A1 (0.32) AGPAT2PDE10AHRH4KIF11EPHX2
SCHEMBL19299836 0.86 AGPAT2 (0.31) AGPAT2HRH4PIK3CAPIK3CBPIK3CG
SCHEMBL18072955 0.86 POLB (0.45) PDE10AHRH4EPHX2SCN4AMEN1
SCHEMBL18072759 0.84 EPHX2 (0.41) AGPAT2PDE10AHRH4GRM2AKR1A1
SCHEMBL18050298 0.81 AGPAT2 (0.39) AGPAT2CNR2HRH4CNR1GRM2
SCHEMBL19299909 0.80 ADRB2 (0.30) —
SCHEMBL19299801 0.79 — —
SCHEMBL19283505 0.79 MAPT (0.37) AGPAT2CNR2MEN1KMT2AL3MBTL1
SCHEMBL19299826 0.78 POLB (0.43) CNR2MEN1KMT2ADDR1KDM4E
SCHEMBL19711949 0.78 POLB (0.45) AGPAT2PDE10AMEN1KMT2ADDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-12-03 — — US disclosed
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-12-03 — — US disclosed
EP-3268361-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
US-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 — — US disclosed
US-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 — — US disclosed
US-10131662-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-11-20 — — US disclosed
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 — — US disclosed
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 — — US disclosed
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 — — US disclosed
EP-3268361-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2018-01-17 — — EP disclosed
WO-2016142327-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — WO disclosed
WO-2016142327-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — 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 (4 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-20190040060-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE AGPAT2 2274/4885CNR2 2028/4885PDE10A 1443/4885
US-10494368-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE AGPAT2 2274/4885CNR2 2028/4885PDE10A 1443/4885
US-10131662-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE AGPAT2 2193/4885CNR2 1926/4885PDE10A 1341/4885
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE AGPAT2 2193/4885CNR2 1926/4885PDE10A 1341/4885

“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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