SCHEMBL5639726

SCHEMBL5639726

Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2SC(F)(F)F)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 7/20 0.69
NPSR1 Q6W5P4 4/20 0.55
TSHR P16473 3/20 0.55
MAPT P10636 2/20 0.55
USP2 O75604 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
NUDT5 Q9UKK9 1/20 0.49
FAP Q12884 2/20 0.48

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
SCHEMBL5639709 0.86 DPP4 (0.74) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5639863 0.83 DPP4 (0.70) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5643413 0.83 DPP4 (0.69) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5639913 0.82 DPP4 (0.78) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5644032 0.82 ALDH1A1 (1.00) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5639692 0.81 DPP4 (0.72) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5639386 0.81 DPP4 (0.72) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5641868 0.81 DPP4 (0.75) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5638863 0.80 DPP4 (0.74) DPP4L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL5642108 0.80 DPP4 (0.74) DPP4L3MBTL1ALDH1A1NPSR1TSHR

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 1/4885L3MBTL1 1646/4885ALDH1A1 360/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885L3MBTL1 1646/4885ALDH1A1 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.