SCHEMBL2568326

SCHEMBL2568326

C[C@H](O)CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.83
KCNH2 Q12809 2/20 0.53
MAP2K2 P36507 4/20 0.47
BRAF P15056 1/20 0.47
MAPK1 P28482 1/20 0.47
MAP2K5 Q13163 1/20 0.47
PRKCZ Q05513 1/20 0.43
IARS2 Q9NSE4 1/20 0.43

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
SCHEMBL2560086 1.00 MAP2K1 (0.83) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2565628 1.00 MAP2K1 (0.83) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2567815 0.94 MAP2K1 (0.81) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL17121642 0.91 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2565779 0.91 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2561800 0.89 MAP2K1 (0.82) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL14228007 0.88 MAP2K1 (0.72) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2562949 0.88 MAP2K1 (0.85) MAP2K1KCNH2MAP2K2
SCHEMBL5048813 0.88 MAP2K1 (0.88) MAP2K1KCNH2MAP2K2
SCHEMBL2562781 0.88 MAP2K1 (0.73) MAP2K1KCNH2MAP2K2BRAFPRKCZ

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 5 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 claimed
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 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
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 10/4885KCNH2 3284/4885MAP2K2 3/4885

“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.