SCHEMBL17688765

SCHEMBL17688765

CCSc1cc(-c2ccc(C(F)(F)F)cc2)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ JAK2 O60674 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
SCHEMBL17696227 0.91 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL20165434 0.87 POLB (0.46) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL17696192 0.86 POLB (0.33) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL17695958 0.86 POLB (0.33) POLB
SCHEMBL24313985 0.85 POLB (0.37) POLB
SCHEMBL30177583 0.84 POLB (0.32) POLB
SCHEMBL17688764 0.84 POLB (0.32) POLB
SCHEMBL30177610 0.84 POLB (0.34) ALDH1A1POLB
SCHEMBL23971611 0.84 POLB (0.34) ALDH1A1POLB
SCHEMBL17696196 0.83 PTGS2 (0.36) KDM4EALDH1A1LMNACYP1A2HPGD

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 10 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
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
EP-3207044-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-08-23 — — EP disclosed
WO-2016059145-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 — — WO 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 KDM4E 3125/4885ALDH1A1 433/4885LMNA 4626/4885
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, TST KDM4E 3125/4885ALDH1A1 433/4885LMNA 4626/4885

“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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