SCHEMBL2565148

SCHEMBL2565148

COCCNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.72
MAP2K2 P36507 5/20 0.43
PRKCZ Q05513 1/20 0.43
IARS2 Q9NSE4 1/20 0.43
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
BRAF P15056 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2563441 0.90 MAP2K1 (0.77) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL2564919 0.90 MAP2K1 (0.75) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL2567349 0.88 MAP2K1 (0.66) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2563367 0.88 MAP2K1 (0.73) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL12164611 0.87 MAP2K1 (0.77) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2562837 0.87 MAP2K1 (0.66) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2565074 0.86 MAP2K1 (0.65) MAP2K1MAP2K2PRKCZIARS2BRAF
SCHEMBL2567207 0.86 MAP2K1 (0.72) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2568678 0.85 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2BRAF
SCHEMBL2572694 0.85 MAP2K1 (0.82) MAP2K1MAP2K2PIM1CAMK2BCYP2C9

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 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
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 3/4885PRKCZ 492/4885

“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.