SCHEMBL212072

SCHEMBL212072

FC(F)(F)c1ccc2n[c]sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
SCN4A P35499 1/20 0.49
PPARA Q07869 1/20 0.40
DYRK1A Q13627 2/20 0.40
KDM4E B2RXH2 2/20 0.40
BACE1 P56817 1/20 0.40
PKM P14618 1/20 0.38
CSNK1D P48730 4/20 0.37
NPBWR1 P48145 1/20 0.37
PTPN5 P54829 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
ACP1 P24666 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL146535 0.85 EPHX2 (0.41) EPHX2SCN4APPARADYRK1AKDM4E
SCHEMBL206753 0.75 GFER (0.44) DYRK1AKDM4EBACE1PKMMEN1
SCHEMBL4780658 0.74 NPC1 (0.53) SCN4ADYRK1APKMCSNK1DACP1
SCHEMBL4718799 0.71 SMN1; SMN2 (0.44) DYRK1AKDM4EPKMKCNH2MEN1
SCHEMBL206103 0.71 SMN1; SMN2 (0.41) PPARADYRK1AKDM4EMEN1ALDH1A1
SCHEMBL8394564 0.69 PKM (0.37) KDM4EPKMCYP2D6MEN1ALDH1A1
SCHEMBL5535847 0.68 PIK3CA (0.50) DYRK1ABACE1CSNK1DALDH1A1GAA
SCHEMBL10634714 0.68 PRMT3 (0.51) EPHX2SCN4APPARADYRK1AKDM4E
SCHEMBL979232 0.68 NPC1 (0.57) EPHX2SCN4APPARADYRK1AKDM4E
SCHEMBL5006009 0.68 KIF20B (0.35) KDM4EALDH1A1MAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
CN-108368064-B 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient 北兴化学工业株式会社 2022-04-26 CN disclosed
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-10-24 US disclosed
US-10377737-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-13 US disclosed
US-20180290986-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2018-10-11 US disclosed
EP-3385254-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE/ACARICIDE HAVING SAID DERIVATIVE AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2018-10-10 EP disclosed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (9 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EPHX2 154/4885SCN4A 1387/4885PPARA 367/4885
US-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 EPHX2 2051/4885SCN4A 1486/4885PPARA 1285/4885
US-20180290986-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 EPHX2 857/4885SCN4A 2445/4885PPARA 2432/4885
US-10377737-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 EPHX2 857/4885SCN4A 2445/4885PPARA 2432/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EPHX2 154/4885SCN4A 1387/4885PPARA 367/4885
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 EPHX2 857/4885SCN4A 2445/4885PPARA 2432/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EPHX2 154/4885SCN4A 1387/4885PPARA 367/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EPHX2 154/4885SCN4A 1387/4885PPARA 367/4885
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 EPHX2 857/4885SCN4A 2445/4885PPARA 2432/4885

“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.