SCHEMBL393028

SCHEMBL393028

COC(=O)c1nn(C)c(=O)cc1Nc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 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
SCHEMBL29413514 0.84 MAP2K1 (0.54)
SCHEMBL1488582 0.84 MAP2K1 (0.54)
SCHEMBL388340 0.82 MAP2K2 (0.54) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL391485 0.77 ALDH1A1 (0.42) MAPTRAB9ASMN1; SMN2NPC1GAA
SCHEMBL25078380 0.74 ALDH1A1 (0.48) MAPTSMN1; SMN2GAATHRBRECQL
SCHEMBL30202515 0.74 ALDH1A1 (0.48) MAPTSMN1; SMN2GAATHRBRECQL
SCHEMBL4340818 0.72 RAB9A (0.39) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL1488056 0.72 MAP2K1 (0.55) MAPTRAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL1488679 0.72 MAP2K1 (0.62)
SCHEMBL29413623 0.72 MAP2K1 (0.62)

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 27 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
EP-2361905-B1 Heterocyclic Inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2013-03-06 EP 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
US-8101611-B2 Substituted pyridazines inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2012-01-24 US disclosed
EP-1922307-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2011-12-28 EP disclosed
US-20110288092-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof ARRAY BIOPHARMA INC. (US) 2011-11-24 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 (8 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 4827/4885RAB9A 203/4885SMN1; SMN2 3954/4885
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof BRAF, NRAS, MAP3K1 MAPT 4461/4885RAB9A 2006/4885SMN1; SMN2 4564/4885
US-20090215834-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAPT 4856/4885RAB9A 143/4885SMN1; SMN2 3974/4885
US-20110288092-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, RAF1 MAPT 4847/4885RAB9A 257/4885SMN1; SMN2 3662/4885
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, RAF1 MAPT 4847/4885RAB9A 257/4885SMN1; SMN2 3662/4885
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, CDK9 MAPT 4821/4885RAB9A 311/4885SMN1; SMN2 3929/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAPT 4830/4885RAB9A 166/4885SMN1; SMN2 4055/4885
US-20090209542-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAPT 4854/4885RAB9A 148/4885SMN1; SMN2 3860/4885

“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.