SCHEMBL697484

SCHEMBL697484

O=C(NOCC1CC1)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.79
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAP2K2 P36507 2/20 0.51
RAF1 P04049 1/20 0.51
PDGFRB P09619 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
AURKC Q9UQB9 1/20 0.51
CAMK2A Q9UQM7 1/20 0.51
PIM1 P11309 1/20 0.43
CAMK2B Q13554 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
SCHEMBL696598 0.92 MAP2K1 (0.79) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL13147940 0.92 MAP2K1 (0.79) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL694135 0.90 MAP2K1 (0.63) MAP2K1MEN1KMT2ATDP1
SCHEMBL13148457 0.90 MAP2K1 (0.63) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL693441 0.89 MAP2K1 (0.78) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL696784 0.88 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL696027 0.88 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL696874 0.88 MAP2K1 (0.61) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL696643 0.87 MAP2K1 (0.77) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2429398 0.86 MAP2K1 (0.90) 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 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 48/4885MEN1 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.