SCHEMBL2565271

SCHEMBL2565271

CCOC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.56
EIF2AK3 Q9NZJ5 7/20 0.56
MAP2K1 Q02750 3/20 0.53
KDM4E B2RXH2 4/20 0.45
SRC P12931 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MAP2K2 P36507 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12164554 0.89 BRAF (0.56) BRAFEIF2AK3MAP2K1KDM4ESRC
SCHEMBL2563156 0.89 BRAF (0.56) BRAFEIF2AK3MAP2K1KDM4ESRC
SCHEMBL2564197 0.89 MAP2K1 (0.67) BRAFEIF2AK3MAP2K1KDM4ENPSR1
SCHEMBL4414430 0.85 MAP2K1 (0.56) BRAFEIF2AK3MAP2K1KDM4ESRC
SCHEMBL2566725 0.84 BRAF (0.60) BRAFEIF2AK3MAP2K1KDM4ENPSR1
SCHEMBL2567370 0.81 BRAF (0.54) BRAFEIF2AK3MAP2K1KDM4ENPSR1
SCHEMBL2567539 0.81 BRAF (0.61) BRAFEIF2AK3MAP2K1MAP2K2LMNA
SCHEMBL2565576 0.81 MAP2K1 (0.53) BRAFEIF2AK3MAP2K1KDM4ENPSR1
SCHEMBL2565056 0.80 MAP2K1 (0.54) BRAFEIF2AK3MAP2K1KDM4ENPSR1
SCHEMBL12164608 0.79 MAP2K1 (0.72) BRAFEIF2AK3MAP2K1MAP2K2

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
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
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.