SCHEMBL1340714

SCHEMBL1340714

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.64
MAP2K2 P36507 8/20 0.64
IDO1 P14902 1/20 0.54
AURKA O14965 4/20 0.52
TNFRSF1A P19438 4/20 0.52
MAP3K9 P80192 3/20 0.52
KDR P35968 2/20 0.52
SRC P12931 3/20 0.51
PRKCB P05771 1/20 0.51
STK3 Q13188 1/20 0.51
ABL1 P00519 2/20 0.47
LCK P06239 2/20 0.47
CLK1 P49759 2/20 0.47
FGFR1 P11362 1/20 0.46
EPHA2 P29317 1/20 0.46
BTK Q06187 1/20 0.46

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
SCHEMBL14590721 0.88 MAP2K1 (0.49) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL1343547 0.87 MAP2K1 (0.51) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL27780564 0.86 MAP2K1 (0.53) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL4860159 0.83 MAP2K1 (0.75) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL27802001 0.82 MAP2K1 (0.58) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL6035272 0.81 MAP2K1 (0.64) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL1340491 0.81 MAP2K1 (0.57) MAP2K1MAP2K2IDO1
SCHEMBL14590725 0.81 MAP2K1 (0.48) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL4860207 0.80 MAP2K1 (0.70) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL4861840 0.80 MAP2K1 (0.70) MAP2K1MAP2K2IDO1AURKATNFRSF1A

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 22 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 4101/4885IDO1 876/4885
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 38/4885IDO1 653/4885
US-20100331334-A1 INHIBITORS OF MEK NRAS, BRAF, KSR2 MAP2K1 54/4885MAP2K2 45/4885IDO1 1390/4885

“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.