SCHEMBL1775720

SCHEMBL1775720

CC(=O)c1cc(C(=O)NOC(CO)CO)c(Nc2ccc(I)cc2F)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 1.00
MAP2K2 P36507 3/20 0.55
MAP2K5 Q13163 2/20 0.55
EIF2AK1 Q9BQI3 1/20 0.55
BRAF P15056 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL13616754 0.91 MAP2K1 (0.83) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1775571 0.89 MAP2K1 (0.88) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL1775676 0.88 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL1775678 0.88 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL1775774 0.88 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL1775958 0.85 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL1775479 0.84 MAP2K1 (0.86) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL1775478 0.84 MAP2K1 (0.86) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL1777781 0.84 MAP2K1 (0.86) MAP2K1MAP2K2MAP2K5EIF2AK1BRAF
SCHEMBL1777900 0.84 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1

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 16 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-20150265679-A1 METHOD OF REDUCING ADVERSE EFFECTS IN A CANCER PATIENT UNDREGOING TREATMENT WITH A MEK INHIBITOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-09-24 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
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
EP-2089359-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 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
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 WO disclosed
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 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 (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-20080188453-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAP2K1 44/4885MAP2K2 43/4885MAP2K5 45/4885
US-20150265679-A1 METHOD OF REDUCING ADVERSE EFFECTS IN A CANCER PATIENT UNDREGOING TREATMENT WITH A MEK INHIBITOR NRAS, BRAF, KRAS MAP2K1 259/4885MAP2K2 209/4885MAP2K5 340/4885

“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.