SCHEMBL196023

SCHEMBL196023

[CH2]c1nc(C)cc(C)n1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL17049151 0.75 HSP90AA1 (0.59)
SCHEMBL1666032 0.73
SCHEMBL196024 0.72
SCHEMBL16154429 0.72 POLB (0.53)
Water SCHEMBL6010194 0.69 POLB (0.50)
SCHEMBL23193294 0.67 LMNA (0.50)
SCHEMBL12723288 0.67 POLB (0.42)
SCHEMBL6487423 0.67
SCHEMBL3348097 0.67
SCHEMBL24737339 0.67 LMNA (0.42)

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 346 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4151218-A1 LINAGLIPTIN, A XANTHINE DERIVATIVE AS DPP-4 INHIBITOR, FOR USE IN THE TREATMENT OF SIRS AND/OR SEPSIS Boehringer Ingelheim International GmbH (DE) 2023-03-22 EP claimed
EP-4104838-A1 Use of DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP claimed
US-20220184088-A1 USES OF DPP IV INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-06-16 US claimed
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP claimed
CN-112656945-A Treatment of diabetes in patients unsuited for metformin therapy 勃林格殷格翰国际有限公司 2021-04-16 CN claimed
US-20210093633-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY BOEHRINGER INGELHEIM INT (DE) 2021-04-01 US claimed
US-20200222411-A1 USES OF DPP IV INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-07-16 US claimed
EP-3626238-A1 DPP-4 INHIBITORS FOR USE FOR THE TREATMENT OF WOUND HEALING IN DIABETIC PATIENTS Boehringer Ingelheim International GmbH (DE) 2020-03-25 EP claimed
US-20190202833-A1 USE OF A DPP-4 INHIBITOR IN SIRS AND/OR SEPSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-04 US claimed
US-20190105321-A1 TREATMENT FOR DIABETES IN PATIENTS INAPPROPRIATE FOR METFORMIN THERAPY BOEHRINGER INGELHEIM INT (DE) 2019-04-11 US claimed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US claimed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP claimed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US claimed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
WO-2009022010-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
WO-2009022008-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO claimed
EP-2015754-A2 USES OF DPP-IV INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-01-21 EP claimed
US-20070281940-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-06 US claimed
WO-2007128761-A2 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 WO claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed