SCHEMBL3974545

SCHEMBL3974545

Cc1nc(Nc2ccccc2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.66
ABCG2 Q9UNQ0 5/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
PDE5A O76074 3/20 0.60
SLC2A1 P11166 1/20 0.59
EGFR P00533 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
KDR P35968 1/20 0.58
CLK4 Q9HAZ1 2/20 0.56
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
ERBB2 P04626 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
LTK P29376 1/20 0.56
MAPK8 P45983 1/20 0.56

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
SCHEMBL16404470 0.91 ABCG2 (0.61) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL3117698 0.90 LMNA (0.66) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL3123061 0.89 MEN1 (0.67) NPY5RABCG2MEN1KMT2AMAPT
SCHEMBL2258103 0.86 KDM1A (0.71) MEN1KMT2AMAPTLMNATP53
SCHEMBL3110763 0.86 MAPT (0.54) NPY5RABCG2MEN1KMT2AMAPT
SCHEMBL2257123 0.86 KDM1A (0.64) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL3108501 0.86 NPY5R (0.72) NPY5RABCG2MEN1KMT2AEGFR
SCHEMBL15986636 0.82 ABCG2 (0.49) NPY5RABCG2MEN1KMT2ASLC2A1
SCHEMBL3113569 0.82 KMT2A (0.64) NPY5RABCG2MEN1KMT2ASLC2A1
SCHEMBL3114887 0.82 KMT2A (0.67) NPY5RABCG2MEN1KMT2ASLC2A1

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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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
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
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

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 NPY5R 320/4885ABCG2 134/4885MEN1 4401/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 NPY5R 253/4885ABCG2 109/4885MEN1 3845/4885

“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.