SCHEMBL698453

SCHEMBL698453

Cc1c(Nc2ccc(Br)cc2F)c(NS(=O)(=O)C2(CC(O)CO)CC2)c2n(c1=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.48
CHEK1 O14757 1/20 0.48
MAP2K2 P36507 1/20 0.48
MAPK10 P53779 1/20 0.48
PRKAG1 P54619 1/20 0.48
ADCK1 Q86TW2 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48

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
SCHEMBL696081 0.92 MAP2K1 (0.51) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL695188 0.91 MAP2K1 (0.59) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1870591 0.85 MAP2K1 (0.47) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL699414 0.85 MAP2K1 (0.41) MAP2K1
SCHEMBL697065 0.83 MAP2K1 (0.63) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL14402238 0.81 MAP2K1 (0.49) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1516514 0.81 MAP2K1 (0.49) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1870334 0.81 MAP2K1 (0.44) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL694593 0.79 MAP2K1 (0.44) MAP2K1
SCHEMBL12405145 0.79 MAP2K1 (0.43) MAP2K1CHEK1MAP2K2MAPK10PRKAG1

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-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP claimed
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 48/4885CHEK1 135/4885MAP2K2 38/4885

“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.