SCHEMBL1836133

SCHEMBL1836133

O=C(O)c1cccnc1C1=NCCN1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
NAPRT Q6XQN6 2/20 0.49
NISCH Q9Y2I1 7/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 1/20 0.40
DHODH Q02127 1/20 0.40
MYC P01106 1/20 0.39

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
SCHEMBL10473113 0.86 NISCH (0.45) KDM4ETDP1NISCHALDH1A1MAPT
SCHEMBL9374955 0.84 NISCH (0.43) KDM4ETDP1NISCHACHE
SCHEMBL1526540 0.78 NISCH (0.60) NISCH
SCHEMBL270419 0.77 KDM4E (1.00) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL3403577 0.77 NISCH (0.51) KDM4ENISCH
SCHEMBL8936695 0.76 NISCH (0.41) NISCHLMNA
SCHEMBL30639818 0.75 KDM4E (0.95) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL29723448 0.75 KDM4E (0.95) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL30639802 0.75 KDM4E (0.95) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL9195272 0.75 NISCH (0.53) KDM4ENISCHALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4685003-B2 2011-05-18 JP claimed
US-7795439-B2 saponifying a solution of pyridine-2,3-dicarboxylic acid ester with NaOH to form the sodium pyridine-2,3-dicarboxylate, reacting the solution with an oxidizing agent (H2O2, NaClO or NaBrO) to remove impurities, acidifying the solution with H2SO4 to produce pyridine-2,3-dicarboxylic acid herbicide BASF AKTIENGESELLSCHAFT (DE) 2010-09-14 US claimed
EP-1644333-B1 IN-SITU TREATMENT OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH AN OXIDIZING AGENT BASF SE (DE) 2009-09-23 EP claimed
JP-2009514775-A 2009-04-09 JP claimed
US-20070185331-A1 In-situ treatment of pyridine 2,3-dicarboxylic acid esters with an oxidizing agent BASF AKTIENGESELLSCHAFT (DE) 2007-08-09 US claimed
EP-1644333-A1 IN-SITU TREATMENT OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH AN OXIDIZING AGENT BASF AKTIENGESELLSCHAFT (DE) 2006-04-12 EP claimed
WO-2005005391-A1 IN-SITU TREATMENT OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH AN OXIDIZING AGENT BASF AKTIENGESELLSCHAFT (DE) 2005-01-20 WO claimed
EP-0434965-B1 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID CO (US) 1998-05-20 EP claimed
US-4997947-A Forming 6-substituted pyridine-2,3-dicarboxylic esters followed by reacting with aminoalkanecarboxylic acid amide; herbicides, plant growth regulators CIBA-GEIGY CORPORATION (US) 1991-03-05 US claimed
US-4891428-A PRE-AND POSTEMERGENCE SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-02 US claimed
EP-0296109-A2 Derivatives of 2-(imidazolin-2-yl)nicotinic acid CIBA-GEIGY AG (CH) 1988-12-21 EP claimed
US-4776876-A Imidazolinyl derivatives having herbicidal activity SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
JP-1135769-A None JP disclosed
JP-1135768-A None JP disclosed
JP-1139566-A None JP disclosed
JP-5097810-A None JP disclosed
EP-0212200-A2 Pyridine derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1987-03-04 EP disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
US-4439607-A FROM THE DIACID AND PHOSGENE; DIMETHYLFORMAMIDE CATALYST AMERICAN CYANAMID COMPANY (US) 1984-03-27 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 (1 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-20070185331-A1 In-situ treatment of pyridine 2,3-dicarboxylic acid esters with an oxidizing agent HAO2, NOX4, IDH2 KDM4E 2908/4885TDP1 1570/4885NAPRT 143/4885

“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.