SCHEMBL692839

SCHEMBL692839

Cc1c(=O)n2c(c3[nH]c(=O)n(-c4ccc(I)cc4F)c13)CCC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.43
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL695498 0.89 MAP2K1 (0.41) MAP2K1
SCHEMBL693009 0.88 RXFP1 (0.35) MAP2K1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1516498 0.73 CASP3 (0.36) MAP2K1MAPK13MAPK12MAPK11MAPK14
SCHEMBL684564 0.72 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL13148448 0.70 MAP2K1 (0.40) MAP2K1
SCHEMBL388455 0.70 MAPK13 (0.34) MAPK13MAPK12MAPK11MAPK14
SCHEMBL697676 0.69 MAP2K1 (0.39) MAP2K1
SCHEMBL699800 0.68 MEN1 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3794238 0.68 MAP2K1 (0.64) MAP2K1
SCHEMBL486496 0.68 MAP2K1 (0.39) MAP2K1MAPK13MAPK12MAPK11MAPK14

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 6 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
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
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 48/4885MAPK13 44/4885MAPK12 42/4885

“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.