SCHEMBL5643509

SCHEMBL5643509

Cc1ccc(Cn2c(N3CCNCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.82
POLB P06746 1/20 0.72
SIRT5 Q9NXA8 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 7/20 0.65
TSHR P16473 5/20 0.62
MAPK1 P28482 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 2/20 0.59
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
KMT2A Q03164 1/20 0.58
NUDT5 Q9UKK9 1/20 0.58
FAP Q12884 1/20 0.57

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
SCHEMBL555168 0.90 DPP4 (0.80) DPP4POLBSIRT5L3MBTL1ALDH1A1
SCHEMBL5323627 0.90 DPP4 (1.00) DPP4L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5642019 0.88 DPP4 (0.77) DPP4POLBSIRT5L3MBTL1ALDH1A1
SCHEMBL5642153 0.88 DPP4 (0.77) DPP4POLBSIRT5L3MBTL1ALDH1A1
SCHEMBL5640779 0.88 DPP4 (0.77) DPP4POLBL3MBTL1ALDH1A1TSHR
SCHEMBL5642868 0.88 DPP4 (0.88) DPP4L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL14524537 0.87 DPP4 (0.76) DPP4POLBSIRT5L3MBTL1ALDH1A1
SCHEMBL5642547 0.87 DPP4 (0.76) DPP4L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5643212 0.87 DPP4 (0.76) DPP4POLBSIRT5L3MBTL1ALDH1A1
SCHEMBL5640007 0.87 DPP4 (0.76) DPP4POLBSIRT5L3MBTL1ALDH1A1

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 1/4885POLB 3194/4885SIRT5 699/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885POLB 3194/4885SIRT5 699/4885

“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.