SCHEMBL689402

SCHEMBL689402

N#Cc1cccc(-c2cccc(COc3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 2/20 0.46
GABRA1 P14867 1/20 0.46
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 2/20 0.40
CASP1 P29466 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
PDCD1 Q15116 1/20 0.39

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
SCHEMBL687800 0.84 CFD (0.44) MRGPRX4FFAR1FFAR4
SCHEMBL689120 0.79 TBXAS1 (0.46) MAPK1GRM5FFAR1
SCHEMBL688978 0.78 TBXAS1 (0.46) GRM5FFAR1
SCHEMBL688992 0.78 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7452913 0.70 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3PDCD1
SCHEMBL25232686 0.69 NR4A2 (0.60) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL30406905 0.69 NR4A2 (0.60) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL1171578 0.69 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3PDCD1
SCHEMBL4612796 0.67 ENPP2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1247999 0.67 MAOB (0.63) GABRG2GABRB3GABRA5GABRA3GABRA2

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 10 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
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-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US 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
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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
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 GABRG2 3987/4885GABRB3 3705/4885GABRA5 3663/4885

“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.