SCHEMBL5073406

SCHEMBL5073406

C/C(Cl)=C/Cn1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.84
KMT2A Q03164 3/20 0.84
MEN1 O00255 2/20 0.84
CYP1A2 P05177 1/20 0.84
CYP3A4 P08684 1/20 0.84
DPP4 P27487 2/20 0.64
POLB P06746 2/20 0.63
SIRT5 Q9NXA8 1/20 0.63
ALDH1A1 P00352 8/20 0.62
HPGD P15428 4/20 0.62
TSHR P16473 2/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 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
SCHEMBL5073408 1.00 MAPK1 (0.84) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5719404 0.91 DPP4 (0.71) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5718933 0.84 ALDH1A1 (0.81) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL555919 0.84 ALDH1A1 (0.81) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL555918 0.84 ALDH1A1 (0.81) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5075295 0.82 DPP4 (0.71) MAPK1KMT2AMEN1DPP4POLB
SCHEMBL555754 0.81 HSD17B10 (0.77) MAPK1KMT2AMEN1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5719135 0.81 MAPK1 (0.62) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5075051 0.81 DPP4 (0.70) MAPK1KMT2AMEN1DPP4POLB
SCHEMBL5075053 0.79 MEN1 (0.75) MAPK1KMT2AMEN1DPP4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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 claimed
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS BENDTZ (DK) 2004-02-19 US claimed
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 claimed
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 claimed
EP-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 EP 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
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
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-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-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
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS BENDTZ (DK) 2004-02-19 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
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 (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-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 MAPK1 3720/4885KMT2A 1635/4885MEN1 4621/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 MAPK1 3720/4885KMT2A 1635/4885MEN1 4621/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R MAPK1 3173/4885KMT2A 3177/4885MEN1 1029/4885
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R MAPK1 3173/4885KMT2A 3177/4885MEN1 1029/4885

“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.