SCHEMBL699800

SCHEMBL699800

O=c1cc2c([nH]c(=O)n2-c2ccc(Br)cc2F)c2n1CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
AKT2 P31751 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
OPRM1 P35372 12/20 0.36
MAPT P10636 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL693391 0.83 MEN1 (0.35) MEN1ALDH1A1KMT2AOPRM1MAPT
SCHEMBL693009 0.81 RXFP1 (0.35) MEN1ALDH1A1KMT2AOPRM1MAPT
SCHEMBL3796822 0.73 SLC22A12 (0.34) ALDH1A1KMT2AMAPTRXFP1
SCHEMBL692885 0.73 RXFP1 (0.35) MEN1ALDH1A1KMT2AMAPTGAA
SCHEMBL698378 0.71 CCR1 (0.32) OPRM1RXFP1
SCHEMBL4338582 0.70 HTR6 (0.37) ALDH1A1MAPTGAALMNA
SCHEMBL695498 0.70 MAP2K1 (0.41)
SCHEMBL696821 0.69 USP30 (0.36) MAPTRXFP1
SCHEMBL692839 0.68 MAP2K1 (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL697394 0.68 MAP2K1 (0.47) ALDH1A1MAPT

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.