SCHEMBL2976376

SCHEMBL2976376

CCn1c(N(C)CC(C)(C)N)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.50
FAP Q12884 9/20 0.50
POU2F2 P09086 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
POU2F1 P14859 1/20 0.49
CHRM3 P20309 1/20 0.49
HRH2 P25021 1/20 0.49
MC4R P32245 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
GHSR Q92847 1/20 0.49
KCNH2 Q12809 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL19154499 0.93 DPP4 (0.48) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL196984 0.90 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL29801450 0.90 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL12650019 0.88 DPP4 (0.51) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL13955072 0.87 MAPT (0.39) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL24508490 0.87 DPP4 (0.51) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL10030473 0.86 DPP4 (0.50) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL13954913 0.86 DPP4 (0.50) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL13955108 0.84 ALDH1A1 (0.42) ADORA3ALDH1A1MAPTTSHRMAPK1
SCHEMBL24743925 0.82 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9713618-B2 Method for modifying food intake and regulating food preference with a DPP-4 inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 US disclosed
US-8232281-B2 Uses of DPP-IV inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20120165251-A1 Diabetes therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120094894-A1 ANTIDIABETIC MEDICATIONS COMPRISING A DPP-4 INHIBITOR (LINAGLIPTIN) OPTIONALLY IN COMBINATION WITH OTHER ANTIDIABETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20120003313-A1 DPP IV INHIBITOR FORMULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-20110301182-A1 Treatment for diabetes in patients with inadequate glycemic control despite metformin therapy comprising a DPP-IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110206766-A1 DPP-IV INHIBITOR COMBINED WITH A FURTHER ANTIDIABETIC AGENT, TABLETS COMPRISING SUCH FORMULATIONS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 US disclosed
US-20110098240-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110092510-A1 DPP-IV INHIBITORS FOR USE IN THE TREATMENT OF NAFLD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-21 US disclosed
US-20110065731-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-17 US disclosed
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-20070281940-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-06 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 (9 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-20120094894-A1 ANTIDIABETIC MEDICATIONS COMPRISING A DPP-4 INHIBITOR (LINAGLIPTIN) OPTIONALLY IN COMBINATION WITH OTHER ANTIDIABETICS DPP4, DPP3, DPP7 DPP4 1/4885FAP 110/4885POU2F2 3816/4885
US-20110092510-A1 DPP-IV INHIBITORS FOR USE IN THE TREATMENT OF NAFLD DPP4, DPP3, DPP7 DPP4 1/4885FAP 25/4885POU2F2 3277/4885
US-20070281940-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885FAP 13/4885POU2F2 3160/4885
US-20120165251-A1 Diabetes therapy DPP4, DPP3, DPP7 DPP4 1/4885FAP 113/4885POU2F2 2348/4885
US-20110065731-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885FAP 13/4885POU2F2 3160/4885
US-20110206766-A1 DPP-IV INHIBITOR COMBINED WITH A FURTHER ANTIDIABETIC AGENT, TABLETS COMPRISING SUCH FORMULATIONS, THEIR USE AND PROCESS FOR THEIR PREPARATION DPP4, DPP3, DPP7 DPP4 1/4885FAP 27/4885POU2F2 3328/4885
US-20110301182-A1 Treatment for diabetes in patients with inadequate glycemic control despite metformin therapy comprising a DPP-IV inhibitor DPP4, DPP3, DPP7 DPP4 1/4885FAP 134/4885POU2F2 981/4885
US-20110098240-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR SLC5A1, SLC5A2, DPP4 DPP4 3/4885FAP 413/4885POU2F2 2807/4885
US-20120003313-A1 DPP IV INHIBITOR FORMULATIONS DPP4, DPP3, DPP7 DPP4 1/4885FAP 26/4885POU2F2 3455/4885

“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.