SCHEMBL693391

SCHEMBL693391

O=c1c(F)c2c([nH]c(=O)n2-c2ccc(Br)cc2F)c2n1CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
OPRM1 P35372 6/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MAOB P27338 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.31
MAP2K1 Q02750 1/20 0.30
CCR1 P32246 1/20 0.30
CCR2 P41597 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90B1 P14625 1/20 0.30

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
SCHEMBL693009 0.89 RXFP1 (0.35) MEN1ALDH1A1KMT2ARXFP1OPRM1
SCHEMBL695498 0.87 MAP2K1 (0.41) MAP2K1
SCHEMBL699800 0.83 MEN1 (0.39) MEN1ALDH1A1KMT2ARXFP1OPRM1
SCHEMBL13148379 0.78 RXFP1 (0.36) RXFP1MAOBPDE3BPDE3AMAPT
SCHEMBL692839 0.77 MAP2K1 (0.43) PDE3BPDE3AMAP2K1
SCHEMBL13628793 0.76 MAPT (0.35) ALDH1A1RXFP1MAOBPDE3BPDE3A
SCHEMBL13613839 0.74 RXFP1 (0.35) RXFP1MAOBPDE3BPDE3AMAPT
SCHEMBL696412 0.74 RXFP1 (0.33) RXFP1MAOBPDE3BPDE3ACCR1
SCHEMBL711027 0.71 USP30 (0.35) RXFP1PDE3BPDE3AMAPTMAP2K1
SCHEMBL12541051 0.70 HSP90AA1 (0.36) MEN1ALDH1A1KMT2ARXFP1OPRM1

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 MEN1 872/4885ALDH1A1 1214/4885KMT2A 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.