SCHEMBL1397100

SCHEMBL1397100

COc1c(N)nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DHPS P49366 4/20 0.40
KMO O15229 1/20 0.38
MEP1B Q16820 1/20 0.36
TPMT P51580 1/20 0.34
TSHR P16473 1/20 0.34
ACLY P53396 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
DPP4 P27487 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33

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
SCHEMBL1397109 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL29443526 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL678359 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL1223251 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL1397102 0.91 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL679154 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL1918698 0.90 KDM4E (0.40) ALDH1A1KDM4EHSD17B10DHPSKMO
Potassium SCHEMBL679156 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL16076589 0.89 DHPS (0.38) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL30151443 0.89 KDM4E (0.39) ALDH1A1KDM4EHSD17B10DHPSMEP1B

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 37 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-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
US-7642220-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2010-01-05 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
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

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 ALDH1A1 2033/4885KDM4E 1445/4885HSD17B10 2615/4885
US-20160316745-A1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4- PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS CASP6, CASP2, DHFR ALDH1A1 2033/4885KDM4E 1445/4885HSD17B10 2615/4885
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC ALDH1A1 504/4885KDM4E 381/4885HSD17B10 3509/4885

“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.