SCHEMBL391306

SCHEMBL391306

C=COCCONC(=O)c1ccc(=O)n(C)c1Nc1ccc(C)cc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.50
MAP2K2 P36507 3/20 0.50
MAP2K5 Q13163 1/20 0.50
EIF2AK1 Q9BQI3 1/20 0.50
KCNH2 Q12809 1/20 0.41
PIM1 P11309 1/20 0.40
CAMK2B Q13554 1/20 0.40

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
SCHEMBL391436 0.90 MAP2K1 (0.55) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL392252 0.88 MAP2K1 (0.63) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL2341603 0.79 MAP2K1 (0.80) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL391878 0.79 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14748182 0.78 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL13070149 0.78 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL388837 0.78 MAP2K1 (0.69) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL393023 0.78 MAP2K1 (0.76) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL18518902 0.77 MAP2K1 (0.43) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL391338 0.77 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5EIF2AK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110288092-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof ARRAY BIOPHARMA INC. (US) 2011-11-24 US disclosed
US-20110183981-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-07-28 US disclosed
US-20110178136-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-07-21 US disclosed
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 disclosed
EP-1682138-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2011-01-12 EP 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 (3 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-20110288092-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, RAF1 MAP2K1 45/4885MAP2K2 34/4885MAP2K5 57/4885
US-20110178136-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF BRAF, NRAS, CDK9 MAP2K1 138/4885MAP2K2 106/4885MAP2K5 150/4885
US-20110183981-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAP2K1 82/4885MAP2K2 69/4885MAP2K5 114/4885

“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.