SCHEMBL2562791

SCHEMBL2562791

CCOC(=O)c1oc2ccnc(Cl)c2c1Nc1ccc(I)cc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.46
MAP2K2 P36507 3/20 0.46
BRAF P15056 4/20 0.41
EIF2AK3 Q9NZJ5 3/20 0.41
KDM4E B2RXH2 1/20 0.40
IDO1 P14902 1/20 0.40
THRB P10828 1/20 0.39
LMNA P02545 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
SCHEMBL2565531 0.90 MAP2K1 (0.47) MAP2K1MAP2K2BRAFEIF2AK3IDO1
SCHEMBL2569395 0.89 BRAF (0.41) MAP2K1BRAFEIF2AK3KDM4ETHRB
SCHEMBL2564197 0.82 MAP2K1 (0.67) MAP2K1MAP2K2BRAFEIF2AK3KDM4E
SCHEMBL12164570 0.81 MAP2K1 (0.71) MAP2K1MAP2K2
SCHEMBL2567539 0.80 BRAF (0.61) MAP2K1MAP2K2BRAFEIF2AK3IDO1
SCHEMBL14199433 0.79 BRAF (0.41) MAP2K1BRAFEIF2AK3KDM4ETHRB
SCHEMBL2565295 0.77 MAP2K1 (0.57) MAP2K1MAP2K2BRAFEIF2AK3KDM4E
SCHEMBL2562793 0.76 MAP2K1 (0.49) MAP2K1MAP2K2BRAFEIF2AK3IDO1
SCHEMBL2562800 0.75 MAP2K1 (0.66) MAP2K1MAP2K2BRAFEIF2AK3IDO1
SCHEMBL2565271 0.74 BRAF (0.56) MAP2K1MAP2K2BRAFEIF2AK3KDM4E

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 MAP2K1 10/4885MAP2K2 3/4885BRAF 42/4885

“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.