SCHEMBL3971941

SCHEMBL3971941

Cc1c(C#N)c(CCl)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
HSP90AA1 P07900 1/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
NPC1 O15118 2/20 0.41
MDM2 Q00987 1/20 0.41
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
KDM4A O75164 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ADRA2A P08913 1/20 0.37
ADORA2A P29274 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR3 P46089 1/20 0.37

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
SCHEMBL4744765 0.79 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL3970610 0.78 ALDH1A1 (0.60) KMT2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL7915032 0.76 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL30315435 0.76 KDM4E (0.56) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2639136 0.76 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6253855 0.76 KDM4E (0.56) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7094516 0.74 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1LMNAADORA2A
SCHEMBL8136134 0.74 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL31350665 0.72 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL31350653 0.72 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT

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 KMT2A 2927/4885KDM4E 1036/4885ALDH1A1 276/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 KMT2A 3131/4885KDM4E 1140/4885ALDH1A1 287/4885

“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.