SCHEMBL3970144

SCHEMBL3970144

ClCc1nc(Nc2ccccc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.60
ABCG2 Q9UNQ0 4/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
PDE5A O76074 7/20 0.55
CLK4 Q9HAZ1 2/20 0.51
DAPK3 O43293 1/20 0.51
MAP4K4 O95819 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
PIM1 P11309 1/20 0.51
PRKACA P17612 1/20 0.51
LTK P29376 1/20 0.51
MAPK8 P45983 1/20 0.51
CSNK1A1 P48729 1/20 0.51
RPS6KA3 P51812 1/20 0.51
LIMK1 P53667 1/20 0.51
MAP2K1 Q02750 1/20 0.51
ACVR1 Q04771 1/20 0.51

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
SCHEMBL14283161 0.84 ALK (0.47) NPY5RABCG2KMT2AMEN1PDE5A
SCHEMBL2255119 0.83 NPY5R (0.60) NPY5RABCG2KMT2AMEN1PDE5A
SCHEMBL4095077 0.83 NPY5R (0.60) NPY5RABCG2KMT2AMEN1PDE5A
SCHEMBL4095242 0.82 NPY5R (0.58) NPY5RABCG2KMT2AMEN1PDE5A
SCHEMBL9260020 0.81 MAPT (0.53) KMT2AMEN1PDE5AALDH1A1POLB
SCHEMBL2256529 0.80 NPY5R (0.55) NPY5RABCG2KMT2AMEN1PDE5A
SCHEMBL4095030 0.78 APP (0.60) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL3976866 0.78 APP (0.68) KMT2AMEN1PDE5AEGFRALDH1A1
SCHEMBL2257238 0.77 NPY5R (0.66) NPY5RABCG2KMT2AMEN1PDE5A
SCHEMBL30960995 0.77 NPY5R (0.66) NPY5RABCG2KMT2AMEN1PDE5A

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 11 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 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
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
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO 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 (3 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 NPY5R 201/4885ABCG2 3127/4885KMT2A 1424/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 NPY5R 320/4885ABCG2 134/4885KMT2A 2927/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 NPY5R 253/4885ABCG2 109/4885KMT2A 3131/4885

“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.