SCHEMBL2568754

SCHEMBL2568754

CC1(C)OC[C@H](CONC(=O)c2oc3ccncc3c2Nc2c(F)cc(I)cc2F)O1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.57
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRAF P15056 6/20 0.33
EIF2AK3 Q9NZJ5 6/20 0.33
MAPK14 Q16539 5/20 0.33
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32

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
SCHEMBL2563419 0.92 MAP2K1 (0.68) MAP2K1MEN1KMT2ATDP1BRAF
SCHEMBL2568336 0.89 MAP2K1 (0.56) MAP2K1MEN1KMT2ATDP1BRAF
SCHEMBL2568085 0.88 MAP2K1 (0.51) MAP2K1BRAFEIF2AK3MAPK14
SCHEMBL14199457 0.86 MAP2K1 (0.59) MAP2K1MEN1KMT2ATDP1BRAF
SCHEMBL14300141 0.86 MAP2K1 (0.55) MAP2K1BRAFEIF2AK3MAPK14
SCHEMBL2565128 0.86 MAP2K1 (0.55) MAP2K1MAPK14
SCHEMBL2568253 0.86 MAP2K1 (0.55) MAP2K1MEN1KMT2ATDP1BRAF
SCHEMBL2565085 0.79 MAP2K1 (0.53) MAP2K1MEN1KMT2ATDP1
SCHEMBL2567448 0.79 MAP2K1 (0.58) MAP2K1BRAFEIF2AK3
SCHEMBL2565900 0.79 MAP2K1 (0.58) MAP2K1BRAFEIF2AK3

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 3 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
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 10/4885MEN1 2716/4885KMT2A 1318/4885

“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.