SCHEMBL696520

SCHEMBL696520

CCOC(=O)c1c(Nc2ccc(C(F)(F)F)cc2F)cc(=O)n2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.51
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K2 P36507 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL695265 0.87 MAP2K1 (0.67) MAP2K1GAAMAPK1MAP2K2ALDH1A1
SCHEMBL695312 0.87 MAP2K1 (0.52) MAP2K1GAAMAPK1MAP2K2ALDH1A1
SCHEMBL710049 0.86 MAP2K1 (0.51) MAP2K1GAAMAPK1MAP2K2ALDH1A1
SCHEMBL697699 0.85 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1MAPTKDM4E
SCHEMBL692682 0.84 MAP2K1 (0.49) MAP2K1GAAMAPK1MAP2K2ALDH1A1
SCHEMBL13148424 0.84 MAP2K1 (0.63) MAP2K1GAAMAPK1MAP2K2ALDH1A1
SCHEMBL695932 0.79 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL13613786 0.74 MAP2K1 (0.53) MAP2K1MAPK1MAP2K2ALDH1A1KDM4E
SCHEMBL696871 0.74 MAP2K1 (0.54) MAP2K1MAP2K2ALDH1A1
SCHEMBL696307 0.74 MAP2K1 (0.81) MAP2K1MAP2K2

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 9 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
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO claimed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US 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
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 48/4885GAA 3410/4885MAPK1 5/4885

“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.