SCHEMBL1777798

SCHEMBL1777798

CC(=O)c1cc(C(=O)O)c(Nc2ccc(Br)cc2F)n1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.74
MAP2K2 P36507 1/20 0.49
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL12649818 0.85 MAP2K1 (0.74) MAP2K1MAP2K2
SCHEMBL1776312 0.85 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL1775941 0.84 MAP2K1 (0.54) MAP2K1MAP2K2
SCHEMBL3456059 0.84 MAP2K1 (0.61) MAP2K1MAP2K2
SCHEMBL393267 0.83 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL27659404 0.82 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL387684 0.81 MAP2K1 (0.58) MAP2K1MAP2K2NPC1ALDH1A1LMNA
SCHEMBL1775704 0.81 MAP2K1 (0.79) MAP2K1MAP2K2
SCHEMBL28794321 0.80 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL1776207 0.76 MAP2K1 (0.79) MAP2K1MAP2K2

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 9 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 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-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
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 (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 43/4885AKR1C3 2824/4885

“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.