SCHEMBL388160

SCHEMBL388160

O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1cc(Cl)sc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.47
MAP2K2 P36507 9/20 0.47
S100A9 P06702 3/20 0.44
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42
CDK6 Q00534 1/20 0.42
ACLY P53396 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.39
PIM1 P11309 1/20 0.38
CAMK2B Q13554 1/20 0.38

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
SCHEMBL391758 0.83 MAP2K1 (0.48) MAP2K1MAP2K2CA2
SCHEMBL391250 0.83 MAP2K1 (0.48) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL901366 0.83 MAP2K1 (0.47) MAP2K1MAP2K2ACLYCA2PIM1
SCHEMBL392182 0.82 MAP2K1 (0.49) MAP2K1MAP2K2ACLYCA2
SCHEMBL388128 0.81 MAP2K1 (0.46) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL391013 0.81 MAP2K1 (0.52) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL390799 0.80 MAP2K1 (0.47) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL5090048 0.80 PTGES2 (0.51) MAP2K1MAP2K2ACLY
SCHEMBL390803 0.78 MAP2K1 (0.47) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL12809022 0.78 MAP2K1 (0.47) MAP2K1MAP2K2CA2PIM1CAMK2B

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US claimed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US claimed
EP-2558126-A2 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS Bayer Intellectual Property GmbH (DE) 2013-02-20 EP claimed
WO-2011128407-A2 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-20 WO claimed
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-9381177-B2 Substituted N-(2-arylamino)aryl sulfonamide-containing combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-05 US disclosed
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES (US) 2014-12-25 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-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
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
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
EP-1912636-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK Ardea Biosciences, Inc. (US) 2008-04-23 EP 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
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
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
WO-2007014011-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2007-02-01 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 (6 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 MAP2K1 32/4885MAP2K2 23/4885S100A9 2570/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885MAP2K2 48/4885S100A9 4144/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAP2K1 27/4885MAP2K2 32/4885S100A9 1089/4885
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS KIT, CHUK, IKBKB MAP2K1 358/4885MAP2K2 408/4885S100A9 1201/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885MAP2K2 48/4885S100A9 4144/4885
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 MAP2K1 7/4885MAP2K2 3/4885S100A9 3711/4885

“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.