SCHEMBL4668930

SCHEMBL4668930

C[C@@H](c1ccccc1C#N)n1c(N2CCC(N)C2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
TSHR P16473 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
DPP4 P27487 5/20 0.46
ALDH1A1 P00352 9/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
ALOX15 P16050 3/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4668800 1.00 MEN1 (0.47) MEN1KMT2ATSHRNPSR1DPP4
SCHEMBL4667138 1.00 MEN1 (0.47) MEN1KMT2ATSHRNPSR1DPP4
SCHEMBL4668927 0.95 DPP4 (0.53) MEN1KMT2ATSHRDPP4ALDH1A1
SCHEMBL4667772 0.95 DPP4 (0.53) MEN1KMT2ATSHRDPP4ALDH1A1
SCHEMBL4668615 0.94 MEN1 (0.51) MEN1KMT2ATSHRNPSR1DPP4
SCHEMBL5638858 0.86 DPP4 (0.55) MEN1KMT2ATSHRNPSR1DPP4
SCHEMBL5640824 0.83 MEN1 (0.53) MEN1KMT2ATSHRNPSR1DPP4
SCHEMBL4668781 0.80 DPP4 (0.48) MEN1KMT2ATSHRNPSR1DPP4
SCHEMBL5639874 0.80 MEN1 (0.39) MEN1KMT2ATSHRNPSR1DPP4
SCHEMBL5639864 0.80 MEN1 (0.39) MEN1KMT2ATSHRNPSR1DPP4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US claimed
EP-1496877-B1 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK AS (DK) 2008-10-01 EP disclosed
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 EP disclosed
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2007-08-23 US disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US disclosed
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
EP-1496877-A2 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK A/S (DK) 2005-01-19 EP disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2003-12-25 US disclosed
WO-2003057200-A2 COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-07-17 WO disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 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 (4 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-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 MEN1 4140/4885KMT2A 2165/4885TSHR 3409/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 MEN1 3558/4885KMT2A 2337/4885TSHR 3634/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R MEN1 1029/4885KMT2A 3177/4885TSHR 918/4885
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R MEN1 1029/4885KMT2A 3177/4885TSHR 918/4885

“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.