SCHEMBL4414430

SCHEMBL4414430

O=C(O)c1oc2ccncc2c1Nc1ccc(I)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.56
BRAF P15056 5/20 0.43
EIF2AK3 Q9NZJ5 5/20 0.43
TDO2 P48775 3/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 2/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
FTO Q9C0B1 1/20 0.34
IDO1 P14902 1/20 0.34
MCL1 Q07820 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL2566005 0.87 MAP2K1 (0.72) MAP2K1IDO1
SCHEMBL2565271 0.85 BRAF (0.56) MAP2K1BRAFEIF2AK3KDM4ESRC
SCHEMBL4415400 0.81 MAP2K1 (0.49) MAP2K1BRAFEIF2AK3TDO2IDO1
SCHEMBL12164608 0.81 MAP2K1 (0.72) MAP2K1BRAFEIF2AK3TDO2CSNK2A2
SCHEMBL2563363 0.80 MAP2K1 (0.81) MAP2K1BRAFEIF2AK3MAPK1
SCHEMBL4417407 0.78 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3TDO2KDM4E
SCHEMBL4417403 0.78 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3TDO2KDM4E
SCHEMBL4414175 0.78 MAP2K1 (0.61) MAP2K1BRAFEIF2AK3TDO2IDO1
SCHEMBL14227954 0.78 MAP2K1 (0.59) MAP2K1BRAFEIF2AK3TDO2CSNK2A2
SCHEMBL12164679 0.77 MAP2K1 (0.62) MAP2K1BRAFEIF2AK3TDO2CSNK2A2

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-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
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 10/4885BRAF 42/4885EIF2AK3 463/4885

“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.