SCHEMBL1223944

SCHEMBL1223944

CCOc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
FDPS P14324 1/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 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
SCHEMBL14478771 0.91 LMNA (0.34) IKBKBALOX5APFEN1LMNAHTT
SCHEMBL1224557 0.89 KDM4E (0.35) IKBKBALOX5APFEN1LMNAHTT
SCHEMBL678359 0.87 ALDH1A1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29443526 0.87 ALDH1A1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1397102 0.87 ALDH1A1 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1224467 0.87 ALOX5AP (0.36) ALOX5APFEN1TDP1
SCHEMBL679154 0.86 ALDH1A1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Potassium SCHEMBL679156 0.86 ALDH1A1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL678756 0.85 MEP1B (0.38) TDP1ALDH1A1
SCHEMBL27894035 0.84 LMNA (0.35) IKBKBALOX5APFEN1LMNATDP1

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-9199943-B2 2-(poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2015-12-01 US disclosed
US-9199943-B2 2-(poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2015-12-01 US disclosed
US-9199943-B2 2-(poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2015-12-01 US disclosed
US-20130237422-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-09-12 US disclosed
US-20130237422-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-09-12 US disclosed
US-20130237422-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-09-12 US disclosed
CN-102977036-A 2-(poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES LLC 2013-03-20 CN disclosed
US-20130005577-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-01-03 US disclosed
US-20130005577-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-01-03 US disclosed
US-20130005577-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-01-03 US disclosed
US-20110190133-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC 2011-08-04 US disclosed
US-7888287-B2 6-Amino-5-chloro-2-(4-chloro-2,6-difluoro-3-methoxy-phenyl)pyrimidine-4-carboxylic Acid Methyl Ester; preemergence herbicides; applying to the soil in rice fields; broad spectrum of weed control against woody plants, grasses and sedges as well as broadleafs DOW AGROSCIENCES LLC (US) 2011-02-15 US disclosed
EP-1971579-B1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-07-28 EP disclosed
US-20090149329-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (IN) 2009-06-11 US disclosed
US-7538214-B2 2-(poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-05-26 US disclosed
EP-1971579-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2008-09-24 EP disclosed
US-20080091016-A1 2-(Poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-04-17 US disclosed
US-7300907-B2 2-(Poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES LLC (US) 2007-11-27 US disclosed
US-20070179059-A1 2-(Poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082076-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 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 (6 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-20090149329-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, HDHD5 IKBKB 3112/4885ALOX5AP 1312/4885FEN1 2586/4885
US-20130237422-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, HDHD5 IKBKB 3112/4885ALOX5AP 1312/4885FEN1 2586/4885
US-20080091016-A1 2-(Poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DDT, DDC, HDHD5 IKBKB 3112/4885ALOX5AP 1312/4885FEN1 2586/4885
US-20130005577-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, HDHD5 IKBKB 3112/4885ALOX5AP 1312/4885FEN1 2586/4885
US-20110190133-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, HDHD5 IKBKB 3112/4885ALOX5AP 1312/4885FEN1 2586/4885
US-20070179059-A1 2-(Poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DDT, DDC, HDHD5 IKBKB 3112/4885ALOX5AP 1312/4885FEN1 2586/4885

“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.