SCHEMBL2568294

SCHEMBL2568294

O=C(NOCC1CC1)c1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.77
MAP2K2 P36507 2/20 0.49
RAF1 P04049 1/20 0.49
PDGFRB P09619 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
AURKC Q9UQB9 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4986442 0.89 MAP2K1 (0.70) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL2561800 0.88 MAP2K1 (0.82) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL5048813 0.88 MAP2K1 (0.88) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL29519571 0.87 MAP2K1 (1.00) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL2560400 0.87 MAP2K1 (1.00) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL2567945 0.86 MAP2K1 (0.57) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL2562949 0.86 MAP2K1 (0.85) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL2563419 0.86 MAP2K1 (0.68) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL2564938 0.85 MAP2K1 (0.90) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL2567815 0.85 MAP2K1 (0.81) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2

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 7 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
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
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 10/4885MAP2K2 3/4885RAF1 51/4885

“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.