SCHEMBL391015

SCHEMBL391015

Nc1ccccc1Nc1c(F)cc(I)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 7/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
APP P05067 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
SNCA P37840 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL391035 0.79 MEN1 (0.37) GAAMEN1KMT2AMAPTCYP2C9
SCHEMBL3612446 0.78 GAA (0.49) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL1681369 0.77 ALDH1A1 (0.37) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL4064030 0.73 GAA (0.52) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL1681702 0.70 MAP2K1 (0.45) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL392145 0.70 GAA (0.43) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL3607119 0.69 MAPT (0.56) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL29414658 0.69 MAPT (0.56) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL3147293 0.68 MAPT (0.50) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2677107 0.67 MAPT (0.71) GAAMEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
EP-2175885-B1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF ARDEA BIOSCIENCES INC (US) 2016-10-12 EP disclosed
US-20160271122-A1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF ARDEA BIOSCIENCES, INC. (US) 2016-09-22 US disclosed
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-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES (US) 2014-12-25 US disclosed
US-8829052-B2 Derivatives of N-(arylamino)sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2014-09-09 US disclosed
US-8808742-B2 Compositions and methods for preparing and using same ARDEA BIOSCIENCES, INC. (US) 2014-08-19 US disclosed
EP-1912636-B1 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES INC (US) 2014-06-25 EP disclosed
US-8648116-B2 Derivatives of N-(arylamino) sulfonamides including polymorphs as inhibitors of MEK as well as compositions, methods of use and methods for preparing the same ARDEA BIOSCIENCES, INC. (US) 2014-02-11 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-20120022076-A1 DERIVATIVES OF N-(ARYLAMINO)SULFONAMIDES AS INHIBITORS OF MEK MADERNA ANDREAS (US) 2012-01-26 US disclosed
US-8101799-B2 Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES (US) 2012-01-24 US disclosed
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME ARDEA BIOSCIENCES, INC. (US) 2011-03-10 US disclosed
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARDEA BIOSCIENCES, INC (US) 2011-02-10 US disclosed
US-7759518-B2 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis ARDEA BIOSCIENCES (US) 2010-07-20 US disclosed
EP-2184984-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME Ardea Biosciences, Inc. (US) 2010-05-19 EP disclosed
US-20090082457-A1 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis ANDREA BIOSCIENCES, INC. (US) 2009-03-26 US disclosed
WO-2009018233-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME ARDEA BIOSCIENCES, INC. (US) 2009-02-05 WO disclosed
US-20080058340-A1 MEK kinase (mitogen-activated ERK-activating kinases or MAP kinase kinase); cancer, tumors, infections, autoimmune disorders, stroke, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis; 1-sulfonamido-2-(phenylamino)-4-fluorobenzene compounds ARDEA BIOSCIENCES, INC. (US) 2008-03-06 US 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 (10 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-20080058340-A1 MEK kinase (mitogen-activated ERK-activating kinases or MAP kinase kinase); cancer, tumors, infections, autoimmune disorders, stroke, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis; 1-sulfonamido-2-(phenylamino)-4-fluorobenzene compounds BRAF, MAPK1, MAPK12 GAA 3476/4885MEN1 1092/4885KMT2A 1629/4885
US-20120022076-A1 DERIVATIVES OF N-(ARYLAMINO)SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 GAA 3061/4885MEN1 1666/4885KMT2A 502/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 GAA 3061/4885MEN1 1666/4885KMT2A 502/4885
US-20120136030-A1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF BRAF, RAF1, NRAS GAA 2652/4885MEN1 1356/4885KMT2A 2388/4885
US-20160271122-A1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF BRAF, RAF1, NRAS GAA 2652/4885MEN1 1356/4885KMT2A 2388/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 GAA 3061/4885MEN1 1666/4885KMT2A 502/4885
US-20090082457-A1 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis BRAF, MAPK1, MAP2K2 GAA 4231/4885MEN1 2467/4885KMT2A 1554/4885
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME NRAS, BRAF, MAP3K2 GAA 3269/4885MEN1 2962/4885KMT2A 1043/4885
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME HMGCR, PCSK9, C5 GAA 272/4885MEN1 195/4885KMT2A 2760/4885
US-20150267258-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS NRAS, KRAS, TP53 GAA 4200/4885MEN1 2673/4885KMT2A 3084/4885

“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.