SCHEMBL555863

SCHEMBL555863

CC(C)=CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.70
KDM4E B2RXH2 2/20 0.68
MAPT P10636 2/20 0.62
ALDH1A1 P00352 8/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 4/20 0.57
TSHR P16473 2/20 0.57
RECQL P46063 1/20 0.57
MDM2 Q00987 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL16703557 0.90 ALDH1A1 (0.71) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL21703516 0.90 ALDH1A1 (0.71) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL637379 0.85 ALDH1A1 (0.61) MAPK1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL15331425 0.85 MAPK1 (0.76) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL24113579 0.84 MAPK1 (0.74) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL638044 0.83 MAPK1 (1.00) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL638043 0.83 MAPK1 (1.00) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL8439255 0.80 KDM4E (0.70) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL636984 0.80 KDM4E (0.66) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL27628883 0.80 KDM4E (0.78) MAPK1KDM4EMAPTALDH1A1SMN1; SMN2

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 82 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
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
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
CN-1492870-A Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-28 CN disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 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
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 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 (12 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 2565/4885KDM4E 1424/4885MAPT 772/4885
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAPK1 2913/4885KDM4E 829/4885MAPT 511/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MAPK1 1255/4885KDM4E 1017/4885MAPT 702/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885KDM4E 829/4885MAPT 511/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885KDM4E 829/4885MAPT 511/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MAPK1 1255/4885KDM4E 1017/4885MAPT 702/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885KDM4E 829/4885MAPT 511/4885
US-20150291627-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885KDM4E 829/4885MAPT 511/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPK1 2913/4885KDM4E 829/4885MAPT 511/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 MAPK1 2169/4885KDM4E 933/4885MAPT 1038/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAPK1 2370/4885KDM4E 1974/4885MAPT 1029/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAPK1 2913/4885KDM4E 829/4885MAPT 511/4885

“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.