SCHEMBL5643124

SCHEMBL5643124

CCOCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2I)n(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
FAP Q12884 5/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5641886 0.97 DPP4 (0.59) DPP4L3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7148724 0.92 DPP4 (0.54) DPP4L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5644711 0.92 DPP4 (0.54) DPP4L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7148149 0.92 DPP4 (0.57) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5640151 0.92 DPP4 (0.57) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5641838 0.91 DPP4 (0.56) DPP4L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5640762 0.91 DPP4 (0.60) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5640838 0.91 DPP4 (0.54) DPP4L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5640401 0.89 DPP4 (0.55) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5641781 0.88 DPP4 (0.57) DPP4L3MBTL1ALDH1A1SMN1; SMN2LMNA

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 16 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
EP-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 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
WO-2002002560-A2 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-01-10 WO claimed
US-20140275080-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 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
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
EP-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 US disclosed
WO-2002002560-A2 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-01-10 WO 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 (3 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-20140275080-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities KIT, CSF1R, CSF3R DPP4 3153/4885L3MBTL1 4057/4885ALDH1A1 1431/4885
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.