SCHEMBL2568253

SCHEMBL2568253

CC1(C)OC[C@H](CONC(=O)c2oc3ccncc3c2Nc2ccc(I)cc2Cl)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.55
MAP2K2 P36507 2/20 0.41
RAF1 P04049 1/20 0.41
PDGFRB P09619 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
AURKC Q9UQB9 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
BRAF P15056 4/20 0.40
EIF2AK3 Q9NZJ5 4/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
F10 P00742 1/20 0.34
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
TDO2 P48775 1/20 0.32
SRC P12931 1/20 0.31

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 0.91 MAP2K1 (0.68) MAP2K1MAP2K2BRAFMEN1KMT2A
SCHEMBL2568085 0.88 MAP2K1 (0.51) MAP2K1BRAFEIF2AK3F10TDO2
SCHEMBL2568754 0.86 MAP2K1 (0.57) MAP2K1BRAFEIF2AK3MEN1KMT2A
SCHEMBL2568336 0.86 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3MEN1KMT2A
SCHEMBL14199457 0.85 MAP2K1 (0.59) MAP2K1MAP2K2BRAFEIF2AK3MEN1
SCHEMBL2565128 0.83 MAP2K1 (0.55) MAP2K1MAP2K2MAPK14
SCHEMBL14300141 0.83 MAP2K1 (0.55) MAP2K1BRAFEIF2AK3MAPK14
SCHEMBL2025655 0.83 MAP2K1 (0.45) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL2566598 0.82 MAP2K1 (0.60) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL2563363 0.80 MAP2K1 (0.81) MAP2K1MAP2K2BRAFEIF2AK3

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 10/4885MAP2K2 3/4885RAF1 51/4885

“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.