SCHEMBL4979784

SCHEMBL4979784

CSc1ccc(Nc2c(C(=O)O)oc3ccncc23)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.54
MAP2K2 P36507 1/20 0.38
BRAF P15056 6/20 0.36
EIF2AK3 Q9NZJ5 5/20 0.36
NUDT1 P36639 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 3/20 0.33
TDO2 P48775 3/20 0.33
ROCK2 O75116 1/20 0.32
DHODH Q02127 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
SCHEMBL12164568 0.91 MAP2K1 (0.53) MAP2K1MAP2K2BRAFEIF2AK3NUDT1
SCHEMBL2564946 0.86 MAP2K1 (0.51) MAP2K1BRAFEIF2AK3KDM4E
SCHEMBL12164588 0.85 MAP2K1 (0.77) MAP2K1MAP2K2
SCHEMBL4412075 0.84 MAP2K1 (0.51) MAP2K1MAP2K2NUDT1IDO1
SCHEMBL2566005 0.84 MAP2K1 (0.72) MAP2K1MAP2K2IDO1
SCHEMBL2563035 0.84 MAP2K1 (0.56) MAP2K1IDO1TDO2
SCHEMBL5010174 0.83 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3KDM4EMEN1
SCHEMBL4989997 0.82 MAP2K1 (0.59) MAP2K1MAP2K2BRAFEIF2AK3NUDT1
SCHEMBL14294807 0.82 MAP2K1 (0.43) MAP2K1MAP2K2NUDT1IDO1
SCHEMBL4986447 0.81 MAP2K1 (0.54) MAP2K1MAP2K2BRAFEIF2AK3IDO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3/4885BRAF 42/4885

“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.