SCHEMBL1343990

SCHEMBL1343990

Cn1cnc2c(F)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.46
BRAF P15056 2/20 0.45
MAP2K2 P36507 6/20 0.42
ABCB11 O95342 1/20 0.42
NQO2 P16083 1/20 0.42
LMNA P02545 1/20 0.37
MAP2K5 Q13163 1/20 0.37

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
SCHEMBL16774939 0.84 BRAF (0.40) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL3800440 0.82 MAP2K1 (0.38) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL1342894 0.81 MAP2K1 (0.47) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL1343152 0.81 MAP2K1 (0.39) MAP2K1BRAFMAP2K2
SCHEMBL1516527 0.80 MAP2K1 (0.45) MAP2K1BRAFMAP2K2
SCHEMBL1343469 0.80 MAP2K1 (0.41) MAP2K1BRAFMAP2K2
SCHEMBL15129697 0.80 IDO1 (0.37) MAP2K1BRAFMAP2K2
SCHEMBL15129534 0.80 MAP2K1 (0.36) MAP2K1BRAFMAP2K2
SCHEMBL9286768 0.79 BRAF (0.46) MAP2K1BRAFMAP2K2MAP2K5
SCHEMBL391574 0.79 MAP2K1 (0.53) MAP2K1BRAFMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150267258-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-24 US disclosed
US-9095581-B2 Combinations of MEK inhibitors and Raf kinase inhibitors and uses thereof ARDEA BIOSCIENCES, INC. (US) 2015-08-04 US disclosed
US-20120136030-A1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF ARDEA BIOSCIENCES, INC. 2012-05-31 US 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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 51/4885BRAF 34/4885MAP2K2 38/4885
US-20120136030-A1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF BRAF, RAF1, NRAS MAP2K1 71/4885BRAF 1/4885MAP2K2 74/4885
US-20100331334-A1 INHIBITORS OF MEK NRAS, BRAF, KSR2 MAP2K1 54/4885BRAF 2/4885MAP2K2 45/4885
US-20150267258-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS NRAS, KRAS, TP53 MAP2K1 110/4885BRAF 6/4885MAP2K2 116/4885

“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.