SCHEMBL391487

SCHEMBL391487

Nc1c(F)c(F)cc(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.52
MAP2K2 P36507 12/20 0.52
CA2 P00918 1/20 0.42
IDO1 P14902 1/20 0.41
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
BRAF P15056 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K5 Q13163 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
SCHEMBL392113 0.87 MAP2K1 (0.56) MAP2K1MAP2K2CA2IDO1PIM1
SCHEMBL935637 0.83 MAP2K1 (0.50) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL391034 0.80 MAP2K1 (0.52) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL16322268 0.80 MAP2K1 (0.55) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL13672936 0.79 MAP2K1 (0.52) MAP2K1MAP2K2IDO1PIM1CAMK2B
SCHEMBL390960 0.77 MAP2K1 (0.63) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL15061750 0.77 MAP2K1 (0.54) MAP2K1MAP2K2IDO1PIM1CAMK2B
SCHEMBL11929738 0.77 MAP2K1 (0.49) MAP2K1MAP2K2IDO1PIM1CAMK2B
SCHEMBL345623 0.77 MAP2K1 (0.52) MAP2K1MAP2K2CA2PIM1CAMK2B
SCHEMBL392144 0.77 MAP2K1 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854779-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS Bayer Pharma Aktiengesellschaft (DE) 2015-04-08 EP disclosed
WO-2013178581-A1 BIOMARKERS FOR DETERMINING EFFECTIVE RESPONSE OF TREATMENTS OF HEPATOCELLULAR CARCINOMA (HCC) PATIENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-12-05 WO disclosed
US-8101799-B2 Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES (US) 2012-01-24 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
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-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 (2 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 23/4885CA2 4731/4885
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 3/4885CA2 4058/4885

“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.