SCHEMBL391890

SCHEMBL391890

Cc1c(Nc2ccc(Br)cc2F)c(C(=O)NOCC(C)O)nn(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.58
KCNH2 Q12809 1/20 0.46
ABCB11 O95342 1/20 0.44
NQO2 P16083 1/20 0.44
MAP2K2 P36507 1/20 0.44

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
SCHEMBL391889 1.00 MAP2K1 (0.58) MAP2K1KCNH2ABCB11NQO2MAP2K2
SCHEMBL391796 0.92 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL391795 0.92 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL393213 0.90 KCNH2 (0.57) MAP2K1KCNH2MAP2K2
SCHEMBL393214 0.90 KCNH2 (0.57) MAP2K1KCNH2MAP2K2
SCHEMBL391378 0.89 MAP2K1 (0.45) MAP2K1KCNH2MAP2K2
SCHEMBL391377 0.89 MAP2K1 (0.45) MAP2K1KCNH2MAP2K2
SCHEMBL388573 0.89 MAP2K1 (0.45) MAP2K1KCNH2MAP2K2
SCHEMBL388572 0.89 MAP2K1 (0.45) MAP2K1KCNH2MAP2K2
SCHEMBL570251 0.87 MAP2K1 (0.71) MAP2K1ABCB11NQO2MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893065-B2 mitogen activated protein kinase inhibitors; 4-(2-Fluoro-4-(methylthio)phenylamino)-N-(2-hydroxyethoxy)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide; used in the treatment of hyperproliferative diseases, such as cancer and inflammation in mammals ARRAY BIOPHARMA INC. (US) 2011-02-22 US claimed
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 claimed
US-20090209542-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-08-20 US claimed
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 claimed
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP claimed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO claimed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 US claimed
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-8101611-B2 Substituted pyridazines inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2012-01-24 US disclosed
US-20090209542-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-08-20 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
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2007-05-17 US 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 (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-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 73/4885KCNH2 2738/4885ABCB11 2439/4885
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof BRAF, NRAS, MAP3K1 MAP2K1 51/4885KCNH2 4511/4885ABCB11 4508/4885
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, RAF1 MAP2K1 45/4885KCNH2 3092/4885ABCB11 3583/4885
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, CDK9 MAP2K1 61/4885KCNH2 4320/4885ABCB11 4039/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 82/4885KCNH2 3157/4885ABCB11 2311/4885
US-20090209542-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAP2K1 98/4885KCNH2 3393/4885ABCB11 2210/4885

“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.