SCHEMBL497449

SCHEMBL497449

CC#CCn1c(Br)nc2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.50
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
KCNH2 Q12809 3/20 0.43
LMNA P02545 4/20 0.43
TSHR P16473 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 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
SCHEMBL8440940 0.89 KMT2A (0.48) DPP4KMT2AGAAKCNH2LMNA
SCHEMBL8268286 0.87 DPP4 (0.49) DPP4GAALMNATSHRNPSR1
SCHEMBL20041950 0.85 DPP4 (0.63) DPP4GAAKCNH2LMNATSHR
SCHEMBL4487837 0.85 KMT2A (0.60) DPP4KMT2ALMNATSHRSMN1; SMN2
SCHEMBL3918944 0.84 DPP4 (0.54) DPP4KMT2AKCNH2
SCHEMBL13936184 0.83 DPP4 (0.47) DPP4KMT2AKCNH2
SCHEMBL638215 0.82 DPP4 (0.55) DPP4KCNH2SMN1; SMN2RAB9A
SCHEMBL20041920 0.82 DPP4 (0.66) DPP4KMT2ALMNATSHRNPSR1
SCHEMBL4483980 0.81 DPP4 (0.46) DPP4KMT2AKCNH2
SCHEMBL4483972 0.81 DPP4 (0.46) DPP4KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266449-B Process for the preparation of chiral 8- (3-amino-piperidin-1-yl) -xanthines 勃林格殷格翰国际有限公司 2022-06-07 CN disclosed
EP-3539956-A1 METHOD FOR PRODUCING CHIRAL 8- (3-AMINO-PIPERIDIN-1-YL) -XANTHINES Boehringer Ingelheim International GmbH (DE) 2019-09-18 EP disclosed
EP-3029040-B1 METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL) -XANTHINES BOEHRINGER INGELHEIM INT (DE) 2019-04-03 EP disclosed
EP-2540724-B1 HYDROCHLORIDES OF 1-[(3-CYANO-PYRIDIN-2-YL) METHYL]-3-METHYL-7-(2-BUTIN-1-YL)-8-[3-AMINO-PIPERIDIN-1-YL]-XANTHIN, THEIR MANUFACTURE AND USE OF SAME AS MEDICINE BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
US-9751855-B2 Process for the preparation of chiral 8-(3-aminopiperidin-1-yl)-xanthines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-05 US disclosed
US-9751855-B2 Process for the preparation of chiral 8-(3-aminopiperidin-1-yl)-xanthines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-05 US disclosed
US-20170129872-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INT (DE) 2017-05-11 US disclosed
US-20170129872-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INT (DE) 2017-05-11 US disclosed
US-20170029402-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INT (DE) 2017-02-02 US disclosed
US-20170029402-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INT (DE) 2017-02-02 US disclosed
US-8106060-B2 8-(3-amino-piperidin-1-yl)-xanthines, their preparation, and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-31 US disclosed
US-8106060-B2 8-(3-amino-piperidin-1-yl)-xanthines, their preparation, and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-31 US disclosed
US-7820815-B2 for preventing or treating disorders connected with an increased DPP-IV activity, especially of diabetes mellitus type I or type II, prediabetes, or reduction of glucose tolerance; 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-26 US disclosed
US-20090192314-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1YL)-XANTHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 US disclosed
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 disclosed
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 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-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US disclosed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 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-20170029402-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1-YL)-XANTHINES XDH, UGT1A8, CYP2C8 DPP4 355/4885KMT2A 1737/4885GAA 2306/4885
US-20090192314-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1YL)-XANTHINES UGT1A8, XDH, CYP2C8 DPP4 324/4885KMT2A 2296/4885GAA 2608/4885
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH DPP4 148/4885KMT2A 2489/4885GAA 868/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 DPP4 2/4885KMT2A 2927/4885GAA 205/4885
US-20170129872-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1-YL)-XANTHINES XDH, UGT1A8, CYP2C8 DPP4 355/4885KMT2A 1737/4885GAA 2306/4885
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885KMT2A 2557/4885GAA 351/4885

“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.