SCHEMBL1397142

SCHEMBL1397142

COc1c(N)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 3/20 0.44
▸ DHPS P49366 8/20 0.42
▸ ACLY P53396 4/20 0.40
▸ NEK2 P51955 2/20 0.40
▸ PDE4D Q08499 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL20727040 0.87 KMO (0.43) KMODHPSNEK2
SCHEMBL16036648 0.86 NEK2 (0.40) DHPSNEK2HSD17B10
SCHEMBL29556640 0.86 NEK2 (0.40) DHPSNEK2HSD17B10
SCHEMBL29556583 0.86 NEK2 (0.40) DHPSNEK2
SCHEMBL16035711 0.86 NEK2 (0.40) DHPSNEK2
SCHEMBL1397025 0.85 PRKCZ (0.42) PDE4DKDM4EALDH1A1HSD17B10
SCHEMBL27785181 0.84 KMO (0.41) KMODHPSNEK2KDM4EALDH1A1
SCHEMBL17745508 0.84 TSPO (0.39) KMODHPSACLYNEK2PDE4D
SCHEMBL16075425 0.84 KIF11 (0.45) NEK2
SCHEMBL1397030 0.82 DHPS (0.54) KMODHPSNEK2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763447-B2 Safening 6-amino-2-(substituted phenyl)-5-substituted-4-pyrimidinecarboxylate herbicide injury on cereal crops DOW AGROSCIENCES LLC (US) 2017-09-19 — — US claimed
US-20160316745-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4- PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS CORTEVA AGRISCIENCE LLC 2016-11-03 — — US claimed
US-9408387-B2 Safening 6-amino-2-(substituted phenyl)-5-substituted-4-pyrimidinecarboxylate herbicide injury on cereal crops DOW AGROSCIENCES LLC (US) 2016-08-09 — — US claimed
EP-2493292-B1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS DOW AGROSCIENCES LLC (US) 2016-05-18 — — EP claimed
US-8609592-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-12-17 — — US claimed
CN-101784531-B 2- (substituted phenyl) -6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylic acid derivatives and their use as herbicides DOW AGROSCIENCES LLC 2013-05-01 — — CN claimed
CN-102686106-A Reducing injury to cereal crops from 6-amino-2- (substituted phenyl) -5-substituted-4-pyrimidinecarboxylic herbicides DOW AGROSCIENCES LLC 2012-09-19 — — CN claimed
EP-2493292-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS Dow AgroSciences LLC (US) 2012-09-05 — — EP claimed
WO-2011059718-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS DOW AGROSCIENCES LLC (US) 2011-05-19 — — WO claimed
US-20110105325-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS DOW AGROSCIENCES LLC 2011-05-05 — — US claimed
US-9763447-B2 Safening 6-amino-2-(substituted phenyl)-5-substituted-4-pyrimidinecarboxylate herbicide injury on cereal crops DOW AGROSCIENCES LLC (US) 2017-09-19 — — US disclosed
US-20160316745-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4- PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS CORTEVA AGRISCIENCE LLC 2016-11-03 — — US disclosed
US-9408387-B2 Safening 6-amino-2-(substituted phenyl)-5-substituted-4-pyrimidinecarboxylate herbicide injury on cereal crops DOW AGROSCIENCES LLC (US) 2016-08-09 — — US disclosed
EP-2493292-B1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS DOW AGROSCIENCES LLC (US) 2016-05-18 — — EP disclosed
US-8609592-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-12-17 — — US disclosed
WO-2009029735-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-03-05 — — WO disclosed
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC 2009-03-05 — — US disclosed
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC 2009-03-05 — — US disclosed
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC 2009-03-05 — — US disclosed
WO-2009029735-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-03-05 — — 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 (3 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-20110105325-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS CASP6, CASP2, DHFR KMO 274/4885DHPS 220/4885ACLY 1196/4885
US-20160316745-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4- PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS CASP6, CASP2, DHFR KMO 274/4885DHPS 220/4885ACLY 1196/4885
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC KMO 186/4885DHPS 420/4885ACLY 951/4885

“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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