SCHEMBL4526237

SCHEMBL4526237

N#Cc1cc(-c2cccc(F)c2)c2ccc(CBr)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.54
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NT5E P21589 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5 P09917 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL759048 0.86 GRM2 (0.69) GRM2
SCHEMBL757530 0.86 GRM2 (0.53) GRM2KDM4EHPGD
SCHEMBL4523612 0.81 GRM2 (0.46) GRM2KDM4EHPGDNPSR1RXFP1
SCHEMBL4523157 0.81 GRM2 (0.43) GRM2KDM4EHPGDNPSR1RXFP1
SCHEMBL4526619 0.79 GRM2 (0.43) GRM2KDM4EHPGDNPSR1RXFP1
SCHEMBL28057826 0.77 GRM2 (0.73) GRM2
SCHEMBL7803769 0.77 ALOX5 (0.47) GRM2ALOX5
SCHEMBL19610600 0.77 GRM2 (0.48) GRM2KDM4EHPGDNPSR1RXFP1
SCHEMBL756852 0.75 GRM2 (0.54) GRM2KDM4E
SCHEMBL14921302 0.74 GRM2 (0.65) GRM2

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
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
EP-1934205-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck Frosst Canada Ltd. (CA) 2008-06-25 EP disclosed
WO-2007038865-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2007-04-12 WO disclosed
WO-2007038865-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2007-04-12 WO 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-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, LTB4R2 GRM2 4204/4885KDM4E 3147/4885HPGD 72/4885

“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.