SCHEMBL1343547

SCHEMBL1343547

COC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.51
MAP2K2 P36507 7/20 0.51
PIM1 P11309 1/20 0.45
CAMK2B Q13554 1/20 0.45
AURKA O14965 1/20 0.43
TNFRSF1A P19438 1/20 0.43
KDR P35968 1/20 0.43
MAP3K9 P80192 1/20 0.43

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
SCHEMBL1340714 0.87 MAP2K1 (0.64) MAP2K1MAP2K2AURKATNFRSF1AKDR
SCHEMBL1341039 0.86 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL27780724 0.83 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL14590729 0.83 KMT2A (0.46) MAP2K1MAP2K2PIM1CAMK2BKDR
SCHEMBL23673880 0.82 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL29781375 0.82 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL29425357 0.82 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL31401872 0.82 MAP2K1 (0.53) MAP2K1MAP2K2PIM1CAMK2BAURKA
SCHEMBL31401815 0.82 MAP2K1 (0.53) MAP2K1MAP2K2PIM1CAMK2BAURKA
SCHEMBL1341557 0.81 MAP2K1 (0.55) MAP2K1MAP2K2PIM1CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121620-B1 INHIBITORS OF MEK ARDEA BIOSCIENCES INC (US) 2015-06-17 EP disclosed
EP-2121620-B1 INHIBITORS OF MEK ARDEA BIOSCIENCES INC (US) 2015-06-17 EP disclosed
US-8063049-B2 Inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2011-11-22 US disclosed
US-8063049-B2 Inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2011-11-22 US disclosed
US-20100331334-A1 INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. 2010-12-30 US disclosed
US-20100331334-A1 INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. 2010-12-30 US disclosed
US-7820664-B2 Inhibitors of MEK BAYER SCHERING PHARMA AG (DE) 2010-10-26 US disclosed
US-7820664-B2 Inhibitors of MEK BAYER SCHERING PHARMA AG (DE) 2010-10-26 US disclosed
US-7820664-B2 Inhibitors of MEK BAYER SCHERING PHARMA AG (DE) 2010-10-26 US disclosed
EP-2121620-A1 INHIBITORS OF MEK Ardea Biosciences, Inc. (US) 2009-11-25 EP disclosed
US-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents ARDEA BIOSCIENCES, INC. (US) 2008-10-16 US disclosed
US-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents ARDEA BIOSCIENCES, INC. (US) 2008-10-16 US disclosed
US-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents ARDEA BIOSCIENCES, INC. (US) 2008-10-16 US disclosed
WO-2008089459-A1 INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2008-07-24 WO disclosed
US-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed
US-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed
US-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed
EP-1651214-A2 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2006-05-03 EP disclosed
US-20050026970-A1 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY 2005-02-03 US disclosed
WO-2005009975-A2 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-03 WO 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-20050026970-A1 N-methyl-substituted benzamidazoles CYP3A5, CYP3A7, UGT2B7 MAP2K1 4401/4885MAP2K2 4101/4885PIM1 1756/4885
US-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents MAPK8, MAP3K8, MAP3K2 MAP2K1 51/4885MAP2K2 38/4885PIM1 239/4885
US-20100331334-A1 INHIBITORS OF MEK NRAS, BRAF, KSR2 MAP2K1 54/4885MAP2K2 45/4885PIM1 96/4885

“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.