SCHEMBL1424864

SCHEMBL1424864

COC(=O)c1nc(Br)cc(N)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.45
NPSR1 Q6W5P4 1/20 0.42
ABL1 P00519 1/20 0.41
KDM4E B2RXH2 8/20 0.41
PKM P14618 2/20 0.41
RCE1 Q9Y256 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 3/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 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
SCHEMBL2343679 0.83 NPSR1 (0.45) NQO2NPSR1KDM4EPKMRCE1
SCHEMBL29556356 0.83 NQO2 (0.47) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL2345279 0.83 NQO2 (0.47) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL1424613 0.82 NQO2 (0.46) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL31134746 0.82 NPSR1 (0.44) NPSR1KDM4EPKMRCE1ALDH1A1
SCHEMBL2342277 0.81 NQO2 (0.45) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL16029800 0.81 NQO2 (0.45) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL2344079 0.81 NPSR1 (0.42) NPSR1ABL1KDM4EPKMRCE1
SCHEMBL2348206 0.80 TDP1 (0.47) NQO2KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL3979098 0.79 NQO2 (0.47) NQO2NPSR1ABL1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731381-B The polysubstituted aryl of 6-()-4-aminopyridine formic acid esters and the purposes as herbicide thereof 美国陶氏益农公司 2016-08-17 CN disclosed
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
EP-2736897-B1 SUBSTITUTED PICOLINIC ACIDS AND PYRIMIDINE-4-CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-11-25 EP disclosed
US-9179676-B2 Substituted picolinic acids and pyrimidine-4-carboxylic acids, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9078440-B2 6-(2-aminophenyl)picolinates and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-14 US disclosed
US-8962529-B2 Substituted picolinic acids, salts and acid derivatives thereof, and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150005165-A1 SUBSTITUTED PICOLINIC ACIDS AND PYRIMIDINE-4-CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 US disclosed
EP-2736897-A1 SUBSTITUTED PICOLINIC ACIDS AND PYRIMIDINE-4-CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer Intellectual Property GmbH (DE) 2014-06-04 EP disclosed
US-20130326735-A1 6-(2-Aminophenyl)picolinates and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-05 US disclosed
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2004089906-A2 6-ALKYL OR ALKENYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2004-10-21 WO disclosed
US-20040198608-A1 6-Alkyl or alkenyl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2004-10-07 US disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
EP-1414814-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2004-05-06 EP disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US disclosed
WO-2003011853-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2003-02-13 WO disclosed
EP-1246802-A1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2002-10-09 EP disclosed
US-20010047099-A1 4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2001-11-29 US disclosed
US-6297197-B1 DEMONSTRATING A BROAD SPECTRUM OF WEED CONTROL. DOW AGROSCIENCES LLC 2001-10-02 US disclosed
WO-2001051468-A1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-19 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 (5 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-20130326735-A1 6-(2-Aminophenyl)picolinates and their use as herbicides HPD, DDT, PTPRG NQO2 402/4885NPSR1 1479/4885ABL1 2572/4885
US-20040198608-A1 6-Alkyl or alkenyl-4-aminopicolinates and their use as herbicides AADAC, AASDHPPT, AADAT NQO2 1172/4885NPSR1 2922/4885ABL1 572/4885
US-20010047099-A1 4-aminopicolinates and their use as herbicides AADAT, ABAT, DDT NQO2 1035/4885NPSR1 1632/4885ABL1 561/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT NQO2 995/4885NPSR1 1629/4885ABL1 375/4885
US-20150005165-A1 SUBSTITUTED PICOLINIC ACIDS AND PYRIMIDINE-4-CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS HPD, DHFR, PAH NQO2 139/4885NPSR1 1549/4885ABL1 1547/4885

“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.