SCHEMBL5641790

SCHEMBL5641790

Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccc3ccccc3c2)n(C)c1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.79
FAP Q12884 2/20 0.77
ALDH1A1 P00352 5/20 0.69
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
HIF1A Q16665 1/20 0.66
TSHR P16473 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 2/20 0.60
RECQL P46063 1/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HTR3A P46098 1/20 0.58

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
SCHEMBL5323627 0.88 DPP4 (1.00) DPP4FAPALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5642868 0.87 DPP4 (0.88) DPP4FAPALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5642547 0.86 DPP4 (0.76) DPP4FAPALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5643509 0.85 DPP4 (0.82) DPP4FAPALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5642739 0.85 DPP4 (0.77) DPP4ALDH1A1L3MBTL1TSHRNPSR1
SCHEMBL555986 0.84 DPP4 (0.92) DPP4ALDH1A1L3MBTL1SMN1; SMN2HIF1A
SCHEMBL5640779 0.84 DPP4 (0.77) DPP4ALDH1A1L3MBTL1SMN1; SMN2TSHR
SCHEMBL555168 0.84 DPP4 (0.80) DPP4ALDH1A1L3MBTL1SMN1; SMN2TSHR
SCHEMBL5642195 0.84 DPP4 (0.81) DPP4FAPALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5639929 0.83 DPP4 (0.79) DPP4FAPALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US claimed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP claimed
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 EP claimed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 US claimed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP disclosed
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 EP disclosed
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS BENDTZ (DK) 2004-02-19 US disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 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 (2 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-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885FAP 17/4885ALDH1A1 360/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885FAP 17/4885ALDH1A1 360/4885

“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.