Sugi Predict

Sugi Predict / Compounds / SCHEMBL2565490

SCHEMBL2565490

SCHEMBL2565490

CCOC(=O)c1oc2c(-c3ccccc3)cncc2c1Nc1ccc([Si](C)(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 3/20 0.42
▸ BRAF P15056 7/20 0.40
▸ EIF2AK3 Q9NZJ5 6/20 0.39
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL2568047 0.90 MAP2K1 (0.53) MAP2K1BRAFEIF2AK3
SCHEMBL2565520 0.88 MAP2K1 (0.52) MAP2K1BRAFEIF2AK3KDM4EALDH1A1
SCHEMBL2565971 0.87 MAP2K1 (0.45) MAP2K1BRAFEIF2AK3KDM4ETP53
SCHEMBL2569311 0.87 MAP2K1 (0.45) MAP2K1BRAFEIF2AK3KDM4EGAA
SCHEMBL2567376 0.86 MAP2K1 (0.44) MAP2K1BRAFEIF2AK3KDM4ETP53
SCHEMBL2562264 0.85 MAP2K1 (0.40) MAP2K1BRAFEIF2AK3CCNB2CDK1
SCHEMBL4988785 0.83 MAP2K1 (0.42) MAP2K1BRAFEIF2AK3KDM4EALDH1A1
SCHEMBL2565053 0.83 MAP2K1 (0.44) MAP2K1BRAFEIF2AK3CCNB2CDK1
SCHEMBL2566055 0.80 MAP2K1 (0.53) MAP2K1BRAFEIF2AK3KDM4EALDH1A1
SCHEMBL2577395 0.79 THRB (0.43) MAP2K1BRAFEIF2AK3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 — — EP disclosed
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
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.