SCHEMBL1397102

SCHEMBL1397102

CCOc1c(N)nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
DHPS P49366 1/20 0.36
KMO O15229 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MEP1B Q16820 1/20 0.35
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
RIN1 Q13671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKAB2 O43741 1/20 0.34

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
SCHEMBL1397100 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL15226183 0.90 TAS1R3 (0.37) ALDH1A1KDM4EDHPSTAS1R3TAS1R1
SCHEMBL1397051 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMOTAS1R3
SCHEMBL16712268 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10KMOTAS1R3
SCHEMBL1223944 0.87 IKBKB (0.36) ALDH1A1MEN1RAB9AKMT2AHPGD
SCHEMBL1918405 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL29443526 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL1223251 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL678359 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO
SCHEMBL1397109 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSKMO

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 22 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
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
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
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
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
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 ALDH1A1 504/4885KDM4E 381/4885HSD17B10 3509/4885
US-20100121058-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
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.