SCHEMBL1777951

SCHEMBL1777951

CC(=O)c1cc(C(=O)NOCCO)c(Nc2ccc(Br)cc2Cl)n1C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.65
MAP2K2 P36507 4/20 0.55
SMC2 O95347 1/20 0.55
EGFR P00533 1/20 0.55
CSNK2A2 P19784 1/20 0.55
SMC1A Q14683 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
Q6ZSR9 Q6ZSR9 1/20 0.55
BMP2K Q9NSY1 1/20 0.55
MAP2K5 Q13163 1/20 0.47
EIF2AK1 Q9BQI3 1/20 0.47
ABCB11 O95342 1/20 0.44
NQO2 P16083 1/20 0.44

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
SCHEMBL1775939 0.88 MAP2K1 (0.79) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1775704 0.88 MAP2K1 (0.79) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL393671 0.85 MAP2K1 (0.65) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL392604 0.85 MAP2K1 (0.56) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1774521 0.79 MAP2K1 (0.80) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL13617050 0.79 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL388763 0.79 MAP2K1 (0.67) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1775958 0.78 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL219751 0.78 MAP2K1 (0.54) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13611384 0.76 MAP2K1 (0.51) MAP2K1MAP2K2SMC2EGFRCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943659-B2 cancerous hyperproliferative disorders; 5-Acetyl-2-(2-fluoro-4-iodo-phenylamino)-1H-pyrrole-3-carboxylic acid; 2-acetyl-5-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1-methyl-1H-imidazole-4-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US claimed
EP-2113500-A1 MAPK/ERK kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP claimed
EP-2089359-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP claimed
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS TAKEDA CALIFORNIA, INC. 2008-08-07 US claimed
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 WO claimed
US-7943659-B2 cancerous hyperproliferative disorders; 5-Acetyl-2-(2-fluoro-4-iodo-phenylamino)-1H-pyrrole-3-carboxylic acid; 2-acetyl-5-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1-methyl-1H-imidazole-4-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7943659-B2 cancerous hyperproliferative disorders; 5-Acetyl-2-(2-fluoro-4-iodo-phenylamino)-1H-pyrrole-3-carboxylic acid; 2-acetyl-5-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1-methyl-1H-imidazole-4-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7943659-B2 cancerous hyperproliferative disorders; 5-Acetyl-2-(2-fluoro-4-iodo-phenylamino)-1H-pyrrole-3-carboxylic acid; 2-acetyl-5-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1-methyl-1H-imidazole-4-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
EP-2113500-A1 MAPK/ERK kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS TAKEDA CALIFORNIA, INC. 2008-08-07 US disclosed
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS TAKEDA CALIFORNIA, INC. 2008-08-07 US disclosed
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS TAKEDA CALIFORNIA, INC. 2008-08-07 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 (1 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-20080188453-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAP2K1 44/4885MAP2K2 43/4885SMC2 4621/4885

“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.