Sugi Predict

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SCHEMBL248654

SCHEMBL248654

Cn1nc(C(=O)O)c(=O)n(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 3/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ PGR P06401 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14877423 0.87 GSK3A (0.44) GSK3AGSK3BMAPK1PGRALDH1A1
SCHEMBL14877428 0.86 TP53 (0.44) GSK3AGSK3BALDH1A1TP53KDM4E
SCHEMBL14966907 0.86 KMT2A (0.49) GSK3AGSK3BTP53KDM4ELMNA
SCHEMBL17427353 0.81 KDM4E (0.49) MAPK1ALDH1A1HPGDTSHRTP53
SCHEMBL19377596 0.81 ALDH1A1 (0.46) GSK3AGSK3BMAPK1PGRCYP2C9
SCHEMBL17427352 0.81 NOTUM (0.44) ALDH1A1TP53KDM4ERAB9ALMNA
SCHEMBL252007 0.81 LMNA (0.48) GSK3AGSK3BMAPK1PGRCYP2C9
SCHEMBL16021998 0.81 ALDH1A1 (0.54) CYP2C9ALDH1A1HPGDTP53KDM4E
SCHEMBL16022013 0.81 TP53 (0.40) ALDH1A1TP53KDM4EHTTRAB9A
SCHEMBL254436 0.80 GSK3A (0.41) GSK3AGSK3BMAPK1PGRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198861-B 6- acyl group -1,2,4- triazine -3,5- derovatives and herbicide FMC公司 2019-11-22 — — CN disclosed
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 — — US disclosed
US-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2018-09-25 — — US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 — — US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 — — US disclosed
EP-3020709-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORPORATION (US) 2016-05-18 — — EP disclosed
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 — — US disclosed
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 — — US disclosed
US-9232801-B2 1,2,4-triazine-3,5-dione-6-carboxamides and use thereof as herbicide BAYER CROPSCIENCE AG (DE) 2016-01-12 — — US disclosed
EP-2542538-B1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2015-12-30 — — EP disclosed
US-20150313232-A1 1,2,4-TRIAZINE-3,5-DIONE-6-CARBOXAMIDES AND USE THEREOF AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2015-11-05 — — US disclosed
US-20150203457-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-23 — — US disclosed
US-8969554-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-03 — — US disclosed
WO-2014135654-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-09-12 — — WO disclosed
US-20130102468-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-04-25 — — US disclosed
EP-2542538-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES Kumiai Chemical Industry Co., Ltd. (JP) 2013-01-09 — — EP disclosed
WO-2012002096-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-05 — — 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 (7 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-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides DDT, AADAC, DAZAP1 GSK3A 3137/4885GSK3B 3668/4885MAPK1 4403/4885
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 GSK3A 3137/4885GSK3B 3668/4885MAPK1 4403/4885
US-20150203457-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 GSK3A 3137/4885GSK3B 3668/4885MAPK1 4403/4885
US-20160009693-A1 HERBICIDAL COMPOUNDS DDT, HAX1, CYP4X1 GSK3A 661/4885GSK3B 741/4885MAPK1 2304/4885
US-20130102468-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES CBR3, DDT, CBR1 GSK3A 2620/4885GSK3B 3018/4885MAPK1 2414/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 GSK3A 3137/4885GSK3B 3668/4885MAPK1 4403/4885
US-20150313232-A1 1,2,4-TRIAZINE-3,5-DIONE-6-CARBOXAMIDES AND USE THEREOF AS HERBICIDE DDT, SQOR, CBR3 GSK3A 3057/4885GSK3B 3221/4885MAPK1 3513/4885

“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.