SCHEMBL2562949

SCHEMBL2562949

CCCONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.85
PIM1 P11309 1/20 0.47
CAMK2B Q13554 1/20 0.47
MAP2K2 P36507 1/20 0.46
CYP2C9 P11712 3/20 0.46
KCNH2 Q12809 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL5048813 0.93 MAP2K1 (0.88) MAP2K1PIM1CAMK2BMAP2K2CYP2C9
SCHEMBL2561800 0.93 MAP2K1 (0.82) MAP2K1PIM1CAMK2BMAP2K2CYP2C9
SCHEMBL2560400 0.92 MAP2K1 (1.00) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL29519571 0.92 MAP2K1 (1.00) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2572694 0.91 MAP2K1 (0.82) MAP2K1PIM1CAMK2BMAP2K2CYP2C9
SCHEMBL2565695 0.91 MAP2K1 (0.81) MAP2K1PIM1CAMK2BMAP2K2CYP2C9
SCHEMBL2564938 0.90 MAP2K1 (0.90) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2567815 0.89 MAP2K1 (0.81) MAP2K1PIM1CAMK2BMAP2K2CYP2C9
SCHEMBL2566164 0.88 MAP2K1 (0.77) MAP2K1PIM1CAMK2BMAP2K2CYP2C9
SCHEMBL2564424 0.88 MAP2K1 (0.80) MAP2K1PIM1CAMK2BMAP2K2CYP2C9

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
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP claimed
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 10/4885PIM1 212/4885CAMK2B 980/4885

“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.