SCHEMBL2565779

SCHEMBL2565779

O=C(NOC[C@H](O)CO)c1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 1.00
MAP2K2 P36507 4/20 0.59
BRAF P15056 1/20 0.59
MAPK1 P28482 1/20 0.59
MAP2K5 Q13163 1/20 0.59
PRKCZ Q05513 1/20 0.51
IARS2 Q9NSE4 1/20 0.51

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
SCHEMBL17121642 1.00 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2565373 0.93 MAP2K1 (0.87) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2560086 0.91 MAP2K1 (0.83) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2565628 0.91 MAP2K1 (0.83) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2568326 0.91 MAP2K1 (0.83) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2559547 0.91 MAP2K1 (0.82) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2563363 0.90 MAP2K1 (0.81) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2565034 0.90 MAP2K1 (0.81) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2565434 0.90 MAP2K1 (0.81) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14300140 0.90 MAP2K1 (0.81) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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 4 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 claimed
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 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

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.