SCHEMBL2565085

SCHEMBL2565085

CC1(C)OC[C@H](CONC(=O)c2oc3ncncc3c2Nc2ccc(I)cc2F)O1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.53
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 2/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2563419 0.87 MAP2K1 (0.68) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL2569318 0.86 MAP2K1 (0.60) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL14294967 0.86 MAP2K1 (0.60) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL2566598 0.86 MAP2K1 (0.60) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL14199457 0.86 MAP2K1 (0.59) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL2567742 0.83 MAP2K1 (0.57) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL1920996 0.81 MAP2K1 (0.48) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL2562877 0.80 MAP2K1 (0.75) MAP2K1
SCHEMBL1218846 0.80 MAP2K1 (0.48) MAP2K1MEN1KMT2ATDP1KCNH2
SCHEMBL2568754 0.79 MAP2K1 (0.57) MAP2K1MEN1KMT2ATDP1

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 2 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
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 10/4885MEN1 2716/4885KMT2A 1318/4885

“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.