SCHEMBL689327

SCHEMBL689327

NCc1cccc(COCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.36
KIF11 P52732 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KLKB1 P03952 3/20 0.34
MGMT P16455 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
CFD P00746 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
F11 P03951 1/20 0.33
F7 P08709 1/20 0.33
TPSB2 P20231 1/20 0.33
TSHR P16473 1/20 0.33
ENPP2 Q13822 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
TACR1 P25103 2/20 0.31

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
SCHEMBL688992 0.83 GABRG2 (0.43) MAOBMRGPRX4TACR1
SCHEMBL687800 0.78 CFD (0.44) MAOBKIF11MRGPRX4KLKB1MGMT
SCHEMBL12750197 0.77 MRGPRX4 (0.39) MAOBMRGPRX4MGMTLOXL2ENPP2
SCHEMBL13141045 0.76 IDO1 (0.36)
SCHEMBL689324 0.73 LOXL2 (0.36) MAOBKIF11LOXL2CFDNOS1
SCHEMBL688303 0.73 LOXL2 (0.44) LOXL2
SCHEMBL688443 0.72 LOXL2 (0.35) MAOBKIF11LOXL2CFDPLG
SCHEMBL28988475 0.72 TAAR1 (0.34) KIF11LOXL2
SCHEMBL17067430 0.71
SCHEMBL6487497 0.71 CYP1A2 (0.37)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 MAOB 227/4885KIF11 2692/4885MRGPRX4 1347/4885

“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.