SCHEMBL1342894

SCHEMBL1342894

Cn1cnc2c(F)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO)CC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.47
MAP2K2 P36507 7/20 0.47
CHEK1 O14757 1/20 0.47
MAPK10 P53779 1/20 0.47
PRKAG1 P54619 1/20 0.47
ADCK1 Q86TW2 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
ABCB11 O95342 1/20 0.47
NQO2 P16083 1/20 0.47
BRAF P15056 1/20 0.44
SMC2 O95347 1/20 0.40
EGFR P00533 1/20 0.40
CSNK2A2 P19784 1/20 0.40
SMC1A Q14683 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
MAP2K5 Q13163 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
SCHEMBL1343991 0.87 MAP2K1 (0.40) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1344431 0.83 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12656224 0.83 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL391581 0.82 MAP2K1 (0.55) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1343990 0.81 MAP2K1 (0.46) MAP2K1MAP2K2ABCB11NQO2BRAF
SCHEMBL1343936 0.81 MAP2K1 (0.46) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1343442 0.81 MAP2K1 (0.46) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL9290249 0.80 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL14016208 0.80 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL14590651 0.79 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2BRAF

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 18 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
EP-2121620-B1 INHIBITORS OF MEK ARDEA BIOSCIENCES INC (US) 2015-06-17 EP 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 51/4885MAP2K2 38/4885CHEK1 152/4885
US-20120136030-A1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF BRAF, RAF1, NRAS MAP2K1 71/4885MAP2K2 74/4885CHEK1 164/4885
US-20100331334-A1 INHIBITORS OF MEK NRAS, BRAF, KSR2 MAP2K1 54/4885MAP2K2 45/4885CHEK1 92/4885
US-20150267258-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS NRAS, KRAS, TP53 MAP2K1 110/4885MAP2K2 116/4885CHEK1 266/4885

“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.