SCHEMBL692982

SCHEMBL692982

Cc1cc(Br)ccc1Nc1cc(=O)n2c(c1C(=O)O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
MAP2K1 Q02750 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
APP P05067 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAP2K2 P36507 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL694244 0.87 MAP2K1 (0.53) ALDH1A1MAP2K1KMT2ALMNAMAP2K2
SCHEMBL693420 0.84 MAP2K1 (0.50) ALDH1A1MAP2K1KMT2ALMNAMAP2K2
SCHEMBL692737 0.81 MAP2K1 (0.48) ALDH1A1GAAMAP2K1KDM4EKMT2A
SCHEMBL13613786 0.81 MAP2K1 (0.53) ALDH1A1MAP2K1KDM4EKMT2AHTT
SCHEMBL695080 0.80 MAP2K1 (0.52) ALDH1A1GAAMAP2K1KMT2AMEN1
SCHEMBL13148371 0.80 MAP2K1 (0.52) ALDH1A1MAP2K1MAP2K2
SCHEMBL698475 0.78 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL696176 0.78 MAP2K1 (0.51) ALDH1A1MAP2K1MAP2K2
SCHEMBL13148458 0.77 MAP2K1 (0.50) ALDH1A1MAP2K1KDM4EKMT2AHTT
SCHEMBL696253 0.77 MAP2K1 (0.55) ALDH1A1MAP2K1MAP2K2

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 ALDH1A1 1214/4885GAA 3410/4885MAP2K1 48/4885

“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.