SCHEMBL696076

SCHEMBL696076

CCOC(=O)c1c(Nc2ccc(Br)cc2F)c(C)c(=O)n2c1CCC2

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.57
PDE3B Q13370 5/20 0.48
PDE3A Q14432 5/20 0.48
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL696029 0.90 MAP2K1 (0.57) MAP2K1PDE3BPDE3A
SCHEMBL13148420 0.89 MAP2K1 (0.57) MAP2K1PDE3BPDE3AGAAMAPK1
SCHEMBL694614 0.88 MAP2K1 (0.68) MAP2K1
SCHEMBL696211 0.88 MAP2K1 (0.56) MAP2K1
SCHEMBL695521 0.87 MAP2K1 (0.59) MAP2K1
SCHEMBL695266 0.87 MAP2K1 (0.58) MAP2K1
SCHEMBL695312 0.86 MAP2K1 (0.52) MAP2K1PDE3BPDE3AGAAMAPK1
SCHEMBL698420 0.85 MAP2K1 (0.64) MAP2K1
SCHEMBL13148513 0.85 MAP2K1 (0.56) MAP2K1
SCHEMBL696563 0.85 MAP2K1 (0.54) 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 10 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-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO 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 48/4885PDE3B 1543/4885PDE3A 2234/4885

“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.