SCHEMBL2563874

SCHEMBL2563874

CCOC(=O)c1oc2c(F)cncc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.41
EIF2AK3 Q9NZJ5 2/20 0.41
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
AHR P35869 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 2/20 0.37
MAP2K1 Q02750 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM5A P29375 1/20 0.36

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
SCHEMBL2562499 0.85 KDM4E (0.51) BRAFEIF2AK3CYP2C9CYP2C19KDM4E
SCHEMBL2565570 0.84 MAPT (0.40) BRAFEIF2AK3CYP2C9CYP2C19KDM4E
SCHEMBL2565160 0.78 ADORA1 (0.36) BRAFEIF2AK3CYP2C9CYP2C19KDM4E
SCHEMBL2562770 0.75 L3MBTL1 (0.44) NPC1MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL2567194 0.74 L3MBTL1 (0.36) CYP2C9CYP2C19KDM4EL3MBTL1ALDH1A1
SCHEMBL2565326 0.74 KDM4E (0.39) BRAFEIF2AK3CYP2C9CYP2C19KDM4E
SCHEMBL2564883 0.74 BRAF (0.50) BRAFEIF2AK3KDM4ENPC1MAPT
SCHEMBL2565520 0.74 MAP2K1 (0.52) BRAFEIF2AK3KDM4EMAPTMAP2K1
SCHEMBL4981994 0.72 MAP2K1 (0.51) BRAFEIF2AK3KDM4EMAP2K1L3MBTL1
SCHEMBL14661360 0.71 KDM4E (0.41) BRAFEIF2AK3CYP2C9CYP2C19KDM4E

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 463/4885CYP2C9 3803/4885

“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.