SCHEMBL1397124

SCHEMBL1397124

CCOC(=O)c1nc(-c2ccc(Cl)c(F)c2F)nc(N)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.37
TP53 P04637 4/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KLKB1 P03952 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PRKCZ Q05513 2/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL1397097 0.89 GRM6 (0.34) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL1397018 0.89 ALDH1A1 (0.36) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL3455010 0.88 GRM6 (0.34) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL679235 0.87 GRM6 (0.37) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL1397109 0.85 ALDH1A1 (0.41) HSD17B10KDM4EKLKB1ALDH1A1HTT
SCHEMBL1397168 0.84 PRKCZ (0.41) RAB9AHSD17B10KDM4EMAPTNPC1
SCHEMBL1115136 0.83 KDM4E (0.39) HSD17B10KDM4EALDH1A1SMN1; SMN2DHPS
SCHEMBL30151443 0.83 KDM4E (0.39) HSD17B10KDM4EALDH1A1SMN1; SMN2DHPS
SCHEMBL1397107 0.83 PRKCZ (0.37) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL694313 0.82 KLKB1 (0.38) HSD17B10KDM4EKLKB1ALDH1A1DHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8426591-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-04-23 US disclosed
US-8426591-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-04-23 US disclosed
US-8426591-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-04-23 US disclosed
US-20130096005-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-04-18 US disclosed
US-20130096005-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-04-18 US disclosed
US-20130096005-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-04-18 US disclosed
EP-2181098-B1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2011-03-02 EP disclosed
US-20100121058-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-05-13 US disclosed
US-20100121058-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-05-13 US disclosed
EP-2181098-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2010-05-05 EP 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
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
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-20130096005-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC GRM6 92/4885TP53 2898/4885RAB9A 3126/4885
US-20100121058-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC GRM6 92/4885TP53 2898/4885RAB9A 3126/4885
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC GRM6 92/4885TP53 2898/4885RAB9A 3126/4885

“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.