Sugi Predict

Sugi Predict / Compounds / SCHEMBL1542088

SCHEMBL1542088

SCHEMBL1542088

C/C=C/Cn1c(Br)nc2c1c(=O)n(CC(=O)c1ccccc1[N+](=O)[O-])c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ DPP4 P27487 9/20 0.48
▸ LMNA P02545 5/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL2749451 1.00 GAA (0.53) GAADPP4LMNANPSR1TSHR
SCHEMBL638222 0.90 LMNA (0.52) DPP4LMNANPSR1TSHRSMN1; SMN2
SCHEMBL27771295 0.88 LMNA (0.56) DPP4LMNANPSR1TSHRSMN1; SMN2
SCHEMBL637472 0.86 GAA (0.58) GAADPP4LMNANPSR1TSHR
SCHEMBL637471 0.86 GAA (0.58) GAADPP4LMNANPSR1TSHR
SCHEMBL637213 0.85 GAA (0.57) GAADPP4LMNANPSR1TSHR
SCHEMBL637652 0.85 DPP4 (0.58) DPP4LMNANPSR1TSHRSMN1; SMN2
SCHEMBL637306 0.84 GAA (0.55) GAADPP4LMNANPSR1TSHR
SCHEMBL637305 0.84 GAA (0.55) GAADPP4LMNANPSR1TSHR
SCHEMBL639963 0.83 DPP4 (0.62) GAADPP4LMNANPSR1TSHR

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 43 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 GAA 308/4885DPP4 1/4885LMNA 3627/4885
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 GAA 265/4885DPP4 2/4885LMNA 3202/4885
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA GAA 1829/4885DPP4 55/4885LMNA 2845/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 GAA 265/4885DPP4 2/4885LMNA 3202/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 GAA 265/4885DPP4 2/4885LMNA 3202/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 GAA 265/4885DPP4 2/4885LMNA 3202/4885
US-20150291627-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 GAA 265/4885DPP4 2/4885LMNA 3202/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 GAA 265/4885DPP4 2/4885LMNA 3202/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 GAA 289/4885DPP4 2/4885LMNA 3689/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 GAA 265/4885DPP4 2/4885LMNA 3202/4885

“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.