SCHEMBL17696227

SCHEMBL17696227

CCSc1cc(-c2ccccc2)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ ADORA2A P29274 3/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ ATM Q13315 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
SCHEMBL17688765 0.91 KDM4E (0.34) ALDH1A1GRIN1GRIN2BKDM4EHSD17B10
SCHEMBL17695958 0.87 POLB (0.33) POLB
SCHEMBL23971611 0.85 POLB (0.34) ALDH1A1POLB
SCHEMBL17688764 0.85 POLB (0.32) POLB
SCHEMBL30177610 0.85 POLB (0.34) ALDH1A1POLB
SCHEMBL30177583 0.85 POLB (0.32) POLB
SCHEMBL24313985 0.82 POLB (0.37) POLB
SCHEMBL29904278 0.81 POLB (0.34) POLB
SCHEMBL24313986 0.81 POLB (0.34) POLB
SCHEMBL29482590 0.81 POLB (0.30) POLB

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-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
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 ALDH1A1 433/4885DHODH 101/4885PKM 1704/4885
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, TST ALDH1A1 433/4885DHODH 101/4885PKM 1704/4885

“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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