SCHEMBL1775161

SCHEMBL1775161

CCOC(=O)c1cc(C(C)=O)[nH]c1Nc1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.45
MAP2K2 P36507 3/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12649821 0.87 MAP2K1 (0.41) MAP2K1MAP2K2GAAMAPTTHRB
SCHEMBL1774323 0.87 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL719657 0.75 DGAT1 (0.54) GABRA1GABRB1GABRA3GABRB2PTGES
SCHEMBL1775941 0.75 MAP2K1 (0.54) MAP2K1MAP2K2
Hydrochloric Acid SCHEMBL31426389 0.74 DGAT1 (0.53) GABRA1GABRB1GABRA3GABRB2PTGES
SCHEMBL392036 0.72 MAP2K1 (0.45) MAP2K1MAP2K2GAAALDH1A1NPC1
SCHEMBL5559374 0.72 MAP2K1 (0.41) MAP2K1MAP2K2GAAMAPTALDH1A1
SCHEMBL5623989 0.72 MAP2K1 (0.49) MAP2K1MAP2K2GAAMAPTTHRB
SCHEMBL5623781 0.72 MAP2K1 (0.77) MAP2K1MAP2K2
SCHEMBL4789851 0.71 MAP2K1 (0.46) MAP2K1MAP2K2PTGESALOX5MAPT

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 8 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-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 43/4885GABRA1 3995/4885

“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.