SCHEMBL698524

SCHEMBL698524

CN(C)CCNC(=O)c1c(Nc2ccc(Br)cc2F)cc(=O)n2c1CCC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.52
MAP2K2 P36507 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
LDHA P00338 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
SCHEMBL695617 0.90 MAP2K1 (0.53) MAP2K1MAP2K2LDHA
SCHEMBL696463 0.90 MAP2K1 (0.59) MAP2K1MAP2K2
SCHEMBL696292 0.89 MAP2K1 (0.56) MAP2K1MAP2K2MAPK14HPGDLDHA
SCHEMBL696870 0.88 MAP2K1 (0.57) MAP2K1MAP2K2ALDH1A1
SCHEMBL696857 0.86 MAP2K1 (0.55) MAP2K1MAP2K2ALDH1A1LDHA
SCHEMBL698475 0.85 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL696176 0.83 MAP2K1 (0.51) MAP2K1MAP2K2ALDH1A1
SCHEMBL13148371 0.83 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1
SCHEMBL694662 0.83 MAP2K1 (0.60) MAP2K1MAP2K2ALDH1A1
SCHEMBL694901 0.82 MAP2K1 (0.65) 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 4 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
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 48/4885MAP2K2 38/4885CYP1A2 700/4885

“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.