SCHEMBL703394

SCHEMBL703394

CC1(C)OCC(CONC(=O)c2c(Nc3ccc(I)cc3F)c(F)c(=O)n3c2CCC3)O1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.69
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIM1 P11309 1/20 0.40
CAMK2B Q13554 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
SCHEMBL696433 0.93 MAP2K1 (0.70) MAP2K1
SCHEMBL697484 0.85 MAP2K1 (0.79) MAP2K1MEN1KMT2ATDP1PIM1
SCHEMBL697673 0.84 MAP2K1 (0.57) MAP2K1
SCHEMBL696027 0.82 MAP2K1 (1.00) MAP2K1
SCHEMBL2434081 0.81 MAP2K1 (1.00) MAP2K1
SCHEMBL2434457 0.81 MAP2K1 (1.00) MAP2K1
SCHEMBL693452 0.81 MAP2K1 (1.00) MAP2K1
SCHEMBL2429398 0.81 MAP2K1 (0.90) MAP2K1
SCHEMBL2437770 0.80 MAP2K1 (0.80) MAP2K1PIM1CAMK2B
SCHEMBL694788 0.80 MAP2K1 (0.55) MAP2K1

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-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 MAP2K1 48/4885MEN1 872/4885KMT2A 1364/4885

“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.