SCHEMBL345946

SCHEMBL345946

O=[N+]([O-])c1c(F)cc(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.51
MAP2K2 P36507 13/20 0.51
PIM1 P11309 1/20 0.40
CAMK2B Q13554 1/20 0.40
IDO1 P14902 1/20 0.40
BRAF P15056 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K5 Q13163 1/20 0.39

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
SCHEMBL11929737 0.88 MAP2K1 (0.45) MAP2K1MAP2K2PIM1CAMK2BIDO1
SCHEMBL391717 0.88 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BIDO1
SCHEMBL390166 0.86 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL346016 0.85 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL1681646 0.85 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL1681534 0.83 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL15826953 0.83 KMT2A (0.40) MAP2K1MAP2K2MAPK1
SCHEMBL1681152 0.83 MAPT (0.38) MAP2K1MAP2K2MAPK1
SCHEMBL3691221 0.81 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BIDO1
SCHEMBL390986 0.81 MAP2K1 (0.58) MAP2K1MAP2K2PIM1CAMK2BBRAF

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 89 patents — showing the first 20. 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
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-9174933-B2 Polymorphic form of N-(S)-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and uses thereof ARDEA BIOSCIENCES, INC. (US) 2015-11-03 US disclosed
US-9174933-B2 Polymorphic form of N-(S)-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and uses thereof ARDEA BIOSCIENCES, INC. (US) 2015-11-03 US disclosed
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 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-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
US-20070238710-A1 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES (US) 2007-10-11 US disclosed
US-20070238710-A1 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES (US) 2007-10-11 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 (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-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 23/4885PIM1 67/4885
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS MYLK2, MAPK1, MAP3K1 MAP2K1 100/4885MAP2K2 80/4885PIM1 172/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 MAP2K1 52/4885MAP2K2 48/4885PIM1 66/4885
US-20070238710-A1 N-ARYL-N'ALKYL SULFAMIDES AS MEK INHIBITORS NRAS, BRAF, HRAS MAP2K1 49/4885MAP2K2 42/4885PIM1 194/4885

“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.