SCHEMBL4986447

SCHEMBL4986447

C#Cc1ccc(Nc2c(C(=O)O)oc3ccncc23)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.54
MAP2K2 P36507 1/20 0.37
TDO2 P48775 2/20 0.36
IDO1 P14902 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
BRAF P15056 2/20 0.34
EIF2AK3 Q9NZJ5 2/20 0.34

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
SCHEMBL2563035 0.84 MAP2K1 (0.56) MAP2K1TDO2IDO1
SCHEMBL2566005 0.84 MAP2K1 (0.72) MAP2K1MAP2K2IDO1
SCHEMBL4989997 0.82 MAP2K1 (0.59) MAP2K1MAP2K2TDO2IDO1BRAF
SCHEMBL12164564 0.82 MAP2K1 (0.69) MAP2K1
SCHEMBL5010174 0.81 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3
SCHEMBL4979784 0.81 MAP2K1 (0.54) MAP2K1MAP2K2TDO2IDO1BRAF
SCHEMBL2566330 0.81 MAP2K1 (0.78) MAP2K1MAP2K2BRAF
SCHEMBL4417403 0.80 MAP2K1 (0.56) MAP2K1MAP2K2TDO2IDO1CSNK2A1
SCHEMBL4417407 0.76 MAP2K1 (0.56) MAP2K1TDO2IDO1CSNK2A1BRAF
SCHEMBL4414175 0.75 MAP2K1 (0.61) MAP2K1MAP2K2TDO2IDO1BRAF

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 3/4885TDO2 1765/4885

“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.