SCHEMBL4989997

SCHEMBL4989997

O=C(O)c1oc2ccncc2c1Nc1ccc(CO)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.59
BRAF P15056 4/20 0.35
EIF2AK3 Q9NZJ5 3/20 0.35
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
TNFRSF1A P19438 1/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
CLK1 P49759 1/20 0.34
MAP3K9 P80192 1/20 0.34
BTK Q06187 1/20 0.34
NUDT1 P36639 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP2K2 P36507 1/20 0.34
PRKCZ Q05513 1/20 0.34
IARS2 Q9NSE4 1/20 0.34
IDO1 P14902 3/20 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
SCHEMBL12164668 0.86 MAP2K1 (0.80) MAP2K1MAP2K2
SCHEMBL2566005 0.85 MAP2K1 (0.72) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL2563035 0.85 MAP2K1 (0.56) MAP2K1IDO1TDO2NPC1RAB9A
SCHEMBL4979784 0.82 MAP2K1 (0.54) MAP2K1BRAFEIF2AK3NUDT1ROCK2
SCHEMBL5010174 0.82 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3ALDH1A1LMNA
SCHEMBL4986447 0.82 MAP2K1 (0.54) MAP2K1BRAFEIF2AK3MAP2K2IDO1
SCHEMBL4417403 0.81 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3MAP2K2IDO1
SCHEMBL4417407 0.77 MAP2K1 (0.56) MAP2K1BRAFEIF2AK3ROCK2IDO1
SCHEMBL4414175 0.76 MAP2K1 (0.61) MAP2K1BRAFEIF2AK3MAP2K2PRKCZ
SCHEMBL12164527 0.75 MAP2K1 (0.71) MAP2K1MAP2K2PRKCZIARS2IDO1

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 10/4885BRAF 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.