SCHEMBL2567539

SCHEMBL2567539

CCOC(=O)c1oc2cnccc2c1Nc1ccc(I)cc1F

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.61
EIF2AK3 Q9NZJ5 7/20 0.61
MAP2K1 Q02750 7/20 0.57
MAP2K2 P36507 3/20 0.46
TDO2 P48775 2/20 0.41
IDO1 P14902 1/20 0.41
PRKCZ Q05513 1/20 0.41
IARS2 Q9NSE4 1/20 0.41
LMNA P02545 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
SCHEMBL2564197 0.92 MAP2K1 (0.67) BRAFEIF2AK3MAP2K1MAP2K2IDO1
SCHEMBL2562177 0.89 BRAF (0.61) BRAFEIF2AK3MAP2K1TDO2IDO1
SCHEMBL4414175 0.85 MAP2K1 (0.61) BRAFEIF2AK3MAP2K1MAP2K2TDO2
SCHEMBL2562800 0.83 MAP2K1 (0.66) BRAFEIF2AK3MAP2K1MAP2K2IDO1
SCHEMBL2566242 0.83 MAP2K1 (0.58) BRAFEIF2AK3MAP2K1MAP2K2IDO1
SCHEMBL2565056 0.82 MAP2K1 (0.54) BRAFEIF2AK3MAP2K1LMNA
SCHEMBL2565295 0.82 MAP2K1 (0.57) BRAFEIF2AK3MAP2K1MAP2K2IDO1
SCHEMBL2562793 0.82 MAP2K1 (0.49) BRAFEIF2AK3MAP2K1MAP2K2IDO1
SCHEMBL2565531 0.82 MAP2K1 (0.47) BRAFEIF2AK3MAP2K1MAP2K2IDO1
SCHEMBL2577317 0.81 MAP2K1 (0.63) BRAFEIF2AK3MAP2K1MAP2K2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
EP-2069354-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 EP disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 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-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 BRAF 42/4885EIF2AK3 463/4885MAP2K1 10/4885

“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.