SCHEMBL693420

SCHEMBL693420

O=C(O)c1c(Nc2ccc(Br)cc2F)cc(=O)n2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.50
MAP2K2 P36507 2/20 0.46
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL694244 0.97 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1KMT2ADHODH
SCHEMBL693674 0.90 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1
SCHEMBL693613 0.88 ALDH1A1 (0.54) MAP2K1MAP2K2ALDH1A1KMT2ALMNA
SCHEMBL13148371 0.87 MAP2K1 (0.52) MAP2K1MAP2K2ALDH1A1
SCHEMBL696253 0.87 MAP2K1 (0.55) MAP2K1MAP2K2ALDH1A1
SCHEMBL13148458 0.87 MAP2K1 (0.50) MAP2K1MAP2K2ALDH1A1KMT2ANPC1
SCHEMBL693247 0.86 MAP2K1 (0.57) MAP2K1MAP2K2ALDH1A1
SCHEMBL698475 0.85 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL696176 0.85 MAP2K1 (0.51) MAP2K1MAP2K2ALDH1A1
SCHEMBL692682 0.85 MAP2K1 (0.49) MAP2K1MAP2K2ALDH1A1

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 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
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 38/4885ALDH1A1 1214/4885

“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.