SCHEMBL4523612

SCHEMBL4523612

Cc1ccc2c(-c3cccc(F)c3)cc(C#N)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.46
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NT5E P21589 1/20 0.40
KDR P35968 1/20 0.39
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
GRM5 P41594 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ADORA2A P29274 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP1 P29466 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
SCHEMBL4521717 0.85 GRM2 (0.60) GRM2
SCHEMBL756737 0.85 GRM2 (0.50) GRM2NPSR1KDM4EHPGDADORA1
SCHEMBL4526237 0.81 GRM2 (0.54) GRM2NPSR1KDM4EHPGDRXFP1
SCHEMBL4523157 0.81 GRM2 (0.43) GRM2NPSR1KDM4EHPGDRXFP1
SCHEMBL4526619 0.81 GRM2 (0.43) GRM2NPSR1KDM4EHPGDRXFP1
SCHEMBL19610600 0.80 GRM2 (0.48) GRM2NPSR1KDM4EHPGDRXFP1
SCHEMBL4521921 0.80 ADORA1 (0.41) GRM2KDM4EHPGDADORA2BADORA1
SCHEMBL19610610 0.79 RIPK1 (0.47) GRM2NPSR1KDM4EKDRMAPT
SCHEMBL7803931 0.75 GRM2 (0.44) GRM2
SCHEMBL4516374 0.74 TOP2A (0.48) NPSR1KDM4EHPGDMAPTSMN1; SMN2

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 4204/4885NPSR1 450/4885KDM4E 3147/4885

“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.