SCHEMBL638043

SCHEMBL638043

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 1.00
ALDH1A1 P00352 10/20 0.70
HPGD P15428 4/20 0.70
HSD17B10 Q99714 4/20 0.70
KDM4E B2RXH2 3/20 0.70
GAA P10253 2/20 0.64
TSHR P16473 3/20 0.58
NOD1 Q9Y239 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RECQL P46063 1/20 0.58
MDM2 Q00987 1/20 0.58
LMNA P02545 4/20 0.57
ALOX15 P16050 3/20 0.57
MAPT P10636 3/20 0.57
NOD2 Q9HC29 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TNF P01375 1/20 0.54

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
SCHEMBL638044 1.00 MAPK1 (1.00) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL15331425 0.86 MAPK1 (0.76) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL24113579 0.85 MAPK1 (0.74) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL555863 0.83 MAPK1 (0.70) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8439255 0.81 KDM4E (0.70) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL27628883 0.81 KDM4E (0.78) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL16703557 0.81 ALDH1A1 (0.71) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21703516 0.81 ALDH1A1 (0.71) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18479757 0.80 KDM4E (0.76) MAPK1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18479755 0.80 KDM4E (0.76) MAPK1ALDH1A1HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2017-03-23 US disclosed
US-9556175-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-31 US disclosed
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2016-07-07 US disclosed
US-9321791-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
US-20150291627-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-10-15 US disclosed
EP-1554278-B1 XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2006-04-12 EP disclosed
EP-1562946-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2005-08-17 EP disclosed
EP-1554278-A2 XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-20 EP disclosed
EP-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-26 US disclosed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US disclosed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 WO disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US disclosed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed
WO-2004018467-A2 PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 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 (10 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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 MAPK1 2565/4885ALDH1A1 198/4885HPGD 1477/4885
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAPK1 2913/4885ALDH1A1 196/4885HPGD 1904/4885
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA MAPK1 839/4885ALDH1A1 160/4885HPGD 740/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885ALDH1A1 196/4885HPGD 1904/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885ALDH1A1 196/4885HPGD 1904/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885ALDH1A1 196/4885HPGD 1904/4885
US-20150291627-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885ALDH1A1 196/4885HPGD 1904/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885ALDH1A1 196/4885HPGD 1904/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAPK1 2370/4885ALDH1A1 295/4885HPGD 1207/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAPK1 2913/4885ALDH1A1 196/4885HPGD 1904/4885

“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.