SCHEMBL4987777

SCHEMBL4987777

CCOC(=O)c1oc2c(Cl)cncc2c1Nc1ccc(SC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.44
BRAF P15056 7/20 0.43
EIF2AK3 Q9NZJ5 6/20 0.43
GFER P55789 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.36
SRC P12931 1/20 0.36
THRB P10828 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
CA2 P00918 1/20 0.34
MAP2K2 P36507 1/20 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
SCHEMBL4981994 0.93 MAP2K1 (0.51) MAP2K1BRAFEIF2AK3KDM4ETHRB
SCHEMBL14294807 0.88 MAP2K1 (0.43) MAP2K1GFERMAP2K2
SCHEMBL2565295 0.87 MAP2K1 (0.57) MAP2K1BRAFEIF2AK3KDM4EMAP2K2
SCHEMBL2569311 0.87 MAP2K1 (0.45) MAP2K1BRAFEIF2AK3KDM4ETP53
SCHEMBL2564946 0.84 MAP2K1 (0.51) MAP2K1BRAFEIF2AK3KDM4EGAA
SCHEMBL12164553 0.84 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL2565520 0.79 MAP2K1 (0.52) MAP2K1BRAFEIF2AK3KDM4ETHRB
SCHEMBL2562800 0.79 MAP2K1 (0.66) MAP2K1BRAFEIF2AK3MAP2K2
SCHEMBL4412075 0.79 MAP2K1 (0.51) MAP2K1GFERMAP2K2
SCHEMBL2566242 0.79 MAP2K1 (0.58) MAP2K1BRAFEIF2AK3MAP2K2

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
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
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
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.