SCHEMBL1343822

SCHEMBL1343822

Cc1noc2c(F)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
IDO1 P14902 1/20 0.36
MAP2K1 Q02750 14/20 0.36
MAP2K2 P36507 6/20 0.35
BRAF P15056 1/20 0.35
CHEK1 O14757 1/20 0.34
MAPK10 P53779 1/20 0.34
PRKAG1 P54619 1/20 0.34
ADCK1 Q86TW2 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
KIT P10721 1/20 0.34
AURKA O14965 1/20 0.34
TNFRSF1A P19438 1/20 0.34
KDR P35968 1/20 0.34
MAP3K9 P80192 1/20 0.34

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
SCHEMBL1341284 0.85 IDO1 (0.38) BRD4IDO1MAP2K1MAP2K2BRAF
SCHEMBL16774962 0.84 BRD4 (0.43) BRD4BRAFKIT
SCHEMBL1343469 0.83 MAP2K1 (0.41) BRD4IDO1MAP2K1MAP2K2BRAF
SCHEMBL1344512 0.81 BRD4 (0.42) BRD4BRAF
SCHEMBL1343777 0.81 MAP2K1 (0.46) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL1343588 0.80 MAP2K1 (0.39) BRD4MAP2K1MAP2K2BRAFAURKA
SCHEMBL1344164 0.80 MAP2K1 (0.41) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL13947709 0.79 BRD4 (0.41) BRD4BRAF
SCHEMBL1343152 0.79 MAP2K1 (0.39) BRD4IDO1MAP2K1MAP2K2BRAF
SCHEMBL391574 0.78 MAP2K1 (0.53) MAP2K1MAP2K2BRAF

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
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-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 BRD4 269/4885IDO1 653/4885MAP2K1 51/4885
US-20120136030-A1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF BRAF, RAF1, NRAS BRD4 1043/4885IDO1 2340/4885MAP2K1 71/4885
US-20100331334-A1 INHIBITORS OF MEK NRAS, BRAF, KSR2 BRD4 479/4885IDO1 1390/4885MAP2K1 54/4885
US-20150267258-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS NRAS, KRAS, TP53 BRD4 809/4885IDO1 3860/4885MAP2K1 110/4885

“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.