SCHEMBL10030473

SCHEMBL10030473

CCn1c(N(C)C[C@H](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 14/20 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 1/20 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
SCHEMBL13954913 1.00 DPP4 (0.50) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL20895836 0.93 DPP4 (0.48) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL20895837 0.93 DPP4 (0.48) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL196304 0.90 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL4474769 0.90 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL29801431 0.90 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL196303 0.90 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL12650019 0.88 DPP4 (0.51) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL24509008 0.87 DPP4 (0.51) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL2976376 0.86 DPP4 (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232281-B2 Uses of DPP-IV inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20120003313-A1 DPP IV INHIBITOR FORMULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 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-20110065731-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-17 US disclosed
EP-2023902-B1 DPP IV INHIBITOR FORMULATIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-08 EP 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 (6 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-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE DPP4, SLC5A1, DPP7 DPP4 1/4885FAP 260/4885POU2F2 1944/4885
US-20070281940-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885FAP 13/4885POU2F2 3160/4885
US-20110065731-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885FAP 13/4885POU2F2 3160/4885
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
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 DPP4 3263/4885FAP 367/4885POU2F2 1051/4885

“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.