SCHEMBL2954977

SCHEMBL2954977

COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.69
CA2 P00918 4/20 0.63
MAP2K2 P36507 4/20 0.59
CHEK1 O14757 1/20 0.50
MAPK10 P53779 1/20 0.50
PRKAG1 P54619 1/20 0.50
ADCK1 Q86TW2 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PIM1 P11309 1/20 0.47
CAMK2B Q13554 1/20 0.47

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
SCHEMBL31354748 0.85 MAP2K1 (0.67) MAP2K1CA2MAP2K2
SCHEMBL2953672 0.85 MAP2K1 (0.67) MAP2K1CA2MAP2K2
SCHEMBL345623 0.81 MAP2K1 (0.52) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL12943976 0.80 MAP2K1 (0.56) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL3265182 0.80 MAP2K1 (0.61) MAP2K1CA2MAP2K2
SCHEMBL1111458 0.79 MAP2K1 (0.76) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL935637 0.79 MAP2K1 (0.50) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL28073179 0.79 MAP2K1 (0.52) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL10285170 0.78 MAP2K1 (0.49) MAP2K1CA2MAP2K2CHEK1MAPK10
SCHEMBL2726111 0.78 MAP2K1 (0.71) MAP2K1CA2

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 29 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
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-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-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 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-2008094702-A1 METHOD OF POLISHING A TUNGSTEN-CONTAINING SUBSTRATE CABOT MICROELECTRONICS CORPORATION (US) 2008-08-07 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
WO-2007121269-A2 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2007-10-25 WO disclosed
US-20070238710-A1 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES (US) 2007-10-11 US disclosed
EP-1773959-A1 METHOD OF POLISHING A TUNGSTEN-CONTAINING SUBSTRATE CABOT MICROELECTRONICS CORPORATION (US) 2007-04-18 EP disclosed
WO-2007014011-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2007-02-01 WO disclosed
WO-2006009641-A1 METHOD OF POLISHING A TUNGSTEN-CONTAINING SUBSTRATE CABOT MICROELECTRONICS CORPORATION (US) 2006-01-26 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 (7 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 32/4885CA2 4731/4885MAP2K2 23/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885CA2 4520/4885MAP2K2 48/4885
US-20070238710-A1 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS NRAS, BRAF, HRAS MAP2K1 49/4885CA2 4804/4885MAP2K2 42/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAP2K1 27/4885CA2 578/4885MAP2K2 32/4885
US-20130261120-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS KIT, CHUK, IKBKB MAP2K1 358/4885CA2 1547/4885MAP2K2 408/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885CA2 4520/4885MAP2K2 48/4885
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 7/4885CA2 4058/4885MAP2K2 3/4885

“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.