SCHEMBL5642013

SCHEMBL5642013

CC(c1ccc(C#N)cc1)n1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
DPP4 P27487 2/20 0.53
POLB P06746 3/20 0.52
SIRT5 Q9NXA8 1/20 0.52
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5639924 0.89 DPP4 (0.52) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5075058 0.88 DPP4 (0.66) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5638858 0.85 DPP4 (0.55) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5641836 0.83 MEN1 (0.52) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5640824 0.82 MEN1 (0.53) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5644237 0.76 DPP4 (0.49) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5641329 0.76 DPP4 (0.54) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL10309073 0.75 ALDH1A1 (0.76) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5643392 0.74 DPP4 (0.51) MEN1KMT2ADPP4POLBSIRT5
SCHEMBL5640648 0.73 ALDH1A1 (0.46) MEN1KMT2ADPP4POLBALDH1A1

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
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 (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 MEN1 4621/4885KMT2A 1635/4885DPP4 1/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 MEN1 4621/4885KMT2A 1635/4885DPP4 1/4885

“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.