SCHEMBL391992

SCHEMBL391992

CCOC(=O)C(C)=NN(C)C(=O)C(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
GLO1 Q04760 1/20 0.39
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL391993 0.72 MAPT (0.49) MAPTGLO1CYP2C9NPSR1ALDH1A1
SCHEMBL393211 0.70 MAPT (0.46) MAPTGLO1CYP2C9NPSR1ALDH1A1
SCHEMBL393212 0.70 MAPT (0.46) MAPTGLO1CYP2C9NPSR1ALDH1A1
SCHEMBL15341144 0.69 MAPT (0.41) MAPTGLO1CYP2C9NPSR1ALDH1A1
SCHEMBL524836 0.66
Hydrochloric Acid SCHEMBL15561631 0.65 ALDH1A1 (0.42) MAPTGLO1CYP2C9NPSR1ALDH1A1
Ethyl Pyruvate SCHEMBL29126865 0.64 GLO1 (0.54) MAPTGLO1NPSR1ALDH1A1LMNA
Ethyl Pyruvate SCHEMBL27469462 0.64 GLO1 (0.54) MAPTGLO1CYP2C9NPSR1ALDH1A1
SCHEMBL31312425 0.64 GLO1 (0.42) MAPTGLO1CYP2C9NPSR1ALDH1A1
Isobutyraldehyde SCHEMBL27547578 0.63 NPSR1 (0.43) MAPTGLO1CYP2C9NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364973-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2014-07-09 EP disclosed
CN-102304086-B Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC 2013-12-04 CN disclosed
EP-2361905-B1 Heterocyclic Inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2013-03-06 EP disclosed
CN-102942522-A Heterocyclic inhibitors of mek and methods of use thereof ARRAY BIOPHARMA INC 2013-02-27 CN disclosed
CN-102898364-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC 2013-01-30 CN disclosed
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-01-17 US disclosed
US-8299076-B2 crystalline form of 2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; for hyperproliferative diseases, such as cancer and inflammation in mammals; crystallization under acidic condition ARRAY BIOPHARMA INC. (US) 2012-10-30 US disclosed
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof ARRAY BIOPHARMA INC. (US) 2012-10-18 US disclosed
US-8211920-B2 6-oxo-1,6-dihydropyridine derivatives as inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
US-8101639-B2 6-oxo-1,6-dihydropyridine compounds as inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-01-24 US disclosed
EP-1967516-B1 4-(phenylamino)-6-oxo-1,6-dihydropyridazine-3-carboxamide derivatives as MEK inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC (US) 2009-11-04 EP disclosed
US-20090215834-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-08-27 US disclosed
US-20090209542-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
US-7517994-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-14 US disclosed
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof ARRAY BIOPHARMA, INC. (US) 2008-11-13 US disclosed
EP-1967516-A1 4-(phenylamino)-6-oxo-1,6-dihydropyridazine-3-carboxamide derivatives as MEK inhibitors for the treatment of hyperproliferative diseases Array Biopharma, Inc. (US) 2008-09-10 EP disclosed
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP disclosed
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2007-05-17 US disclosed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO disclosed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 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 (7 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-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAPT 4827/4885GLO1 2746/4885CYP2C9 144/4885
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof BRAF, NRAS, MAP3K1 MAPT 4461/4885GLO1 2610/4885CYP2C9 3423/4885
US-20090215834-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAPT 4856/4885GLO1 2718/4885CYP2C9 109/4885
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, RAF1 MAPT 4847/4885GLO1 2815/4885CYP2C9 647/4885
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, CDK9 MAPT 4821/4885GLO1 3392/4885CYP2C9 1180/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAPT 4830/4885GLO1 2755/4885CYP2C9 136/4885
US-20090209542-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAPT 4854/4885GLO1 2569/4885CYP2C9 126/4885

“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.