SCHEMBL3970132

SCHEMBL3970132

N#Cc1cc2ccccc2nc1CBr

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 4/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HBB P68871 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GLA P06280 1/20 0.42
ACHE P22303 1/20 0.42
TLR8 Q9NR97 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL17442818 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL7014505 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL7010219 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL28083848 0.76 KDM4E (0.50) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL8026750 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL4027564 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL6772400 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL1601021 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL195645 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL1514476 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTTSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 EP disclosed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 EP 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
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 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
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 EP disclosed
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 disclosed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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 (2 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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 ALDH1A1 276/4885KDM4E 1036/4885GAA 205/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 ALDH1A1 287/4885KDM4E 1140/4885GAA 211/4885

“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.