SCHEMBL5640895

SCHEMBL5640895

O=c1c2c(nc(N3CCNCC3)n2Cc2ccccc2)n(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.73
HTR3A P46098 1/20 0.57
PIM1 P11309 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
FAP Q12884 1/20 0.56
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
SOS1 Q07889 1/20 0.52
DPP9 Q86TI2 1/20 0.52

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
SCHEMBL5640233 0.95 DPP4 (0.68) DPP4HTR3APIM1L3MBTL1FAP
SCHEMBL5642076 0.91 DPP4 (0.72) DPP4L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5640208 0.91 DPP4 (0.69) DPP4HTR3APIM1L3MBTL1FAP
SCHEMBL554778 0.90 DPP4 (0.87) DPP4L3MBTL1FAPALDH1A1TSHR
SCHEMBL5640359 0.88 DPP4 (0.64) DPP4HTR3APIM1L3MBTL1FAP
SCHEMBL5641006 0.88 DPP4 (0.67) DPP4L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5323627 0.85 DPP4 (1.00) DPP4L3MBTL1FAPALDH1A1TSHR
SCHEMBL5642537 0.83 DPP4 (0.61) DPP4L3MBTL1ALDH1A1ADORA3ADORA2A
SCHEMBL5642832 0.83 DPP4 (0.80) DPP4L3MBTL1FAPALDH1A1TSHR
SCHEMBL5640606 0.83 DPP4 (0.83) DPP4HTR3APIM1L3MBTL1ALDH1A1

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 1/4885HTR3A 1512/4885PIM1 2102/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885HTR3A 1512/4885PIM1 2102/4885

“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.