SCHEMBL697510

SCHEMBL697510

COc1ccc(Nc2cc(=O)n3c(c2C(=O)O)CCC3)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.53
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 1/20 0.41
DHODH Q02127 2/20 0.41
CPS1 P31327 2/20 0.40
LDHA P00338 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39
JMJD7 P0C870 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 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
SCHEMBL710049 0.87 MAP2K1 (0.51) MAP2K1KMT2AALDH1A1LDHA
SCHEMBL13613786 0.86 MAP2K1 (0.53) MAP2K1KMT2AALDH1A1MEN1
SCHEMBL693328 0.84 MAP2K1 (0.69) MAP2K1
SCHEMBL13148458 0.83 MAP2K1 (0.50) MAP2K1KMT2AALDH1A1MEN1
SCHEMBL697300 0.82 MAP2K1 (0.60) MAP2K1KMT2ALDHATP53MEN1
SCHEMBL697699 0.82 MAP2K1 (0.52) MAP2K1KMT2AALDH1A1MEN1
SCHEMBL693420 0.81 MAP2K1 (0.50) MAP2K1KMT2AALDH1A1DHODH
SCHEMBL694662 0.76 MAP2K1 (0.60) MAP2K1ALDH1A1
SCHEMBL697785 0.76 MAP2K1 (0.76) MAP2K1
SCHEMBL13148371 0.76 MAP2K1 (0.52) MAP2K1ALDH1A1

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 48/4885KMT2A 1364/4885ALDH1A1 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.