SCHEMBL2374744

SCHEMBL2374744

[CH2]c1ccc2c(c1)nnn2C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.54
KEAP1 Q14145 3/20 0.53
SLC9A1 P19634 1/20 0.53
HPGD P15428 5/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 7/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDO2 P48775 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 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
SCHEMBL435034 0.78 HCAR3 (0.56) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL3182817 0.76 HCAR3 (0.59) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL18911786 0.76 HCAR3 (0.54) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL1133392 0.76 RAB9A (0.56) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL4793216 0.76 HCAR3 (0.54) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL12100525 0.76 HCAR3 (0.54) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL10287998 0.73 HCAR3 (0.51) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL31257342 0.73 SMN1; SMN2 (0.57) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL904701 0.72 HCAR3 (0.50) HCAR3KEAP1SLC9A1HPGDMAPT
SCHEMBL1525887 0.72 HCAR3 (0.54) HCAR3KEAP1SLC9A1HPGDMAPT

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 47 patents — showing the first 20. 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
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 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-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 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-11173162-B2 Bicyclic heterocycles as FGFR4 inhibitors INCYTE CORPORATION (US) 2021-11-16 US disclosed
EP-3617205-B1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORP (US) 2021-08-04 EP disclosed
US-20200306256-A1 BICYCLIC HETEROCYCLES AS FGFR4 INHIBITORS INCYTE CORPORATION 2020-10-01 US disclosed
US-10632126-B2 Bicyclic heterocycles as FGFR4 inhibitors INCYTE CORPORATION (US) 2020-04-28 US disclosed
EP-3259269-B9 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORP (US) 2020-03-04 EP disclosed
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions ECKHARDT MATTHIAS 2007-06-21 US disclosed
EP-1763530-A1 IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Boehringer Ingelheim International GmbH (DE) 2007-03-21 EP disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 US disclosed
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 US disclosed
WO-2005087774-A1 IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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 (11 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-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions DPP4, DPP3, DPP7 HCAR3 2686/4885KEAP1 1496/4885SLC9A1 2184/4885
US-20200306256-A1 BICYCLIC HETEROCYCLES AS FGFR4 INHIBITORS FGFR4, FGFR3, FGFR1 HCAR3 527/4885KEAP1 2581/4885SLC9A1 3613/4885
US-10632126-B2 Bicyclic heterocycles as FGFR4 inhibitors FGFR4, FGFR3, FGFR1 HCAR3 1187/4885KEAP1 2736/4885SLC9A1 3083/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HCAR3 2607/4885KEAP1 1540/4885SLC9A1 2295/4885
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP7 HCAR3 2074/4885KEAP1 2465/4885SLC9A1 1510/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 HCAR3 2038/4885KEAP1 2268/4885SLC9A1 977/4885
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 HCAR3 1559/4885KEAP1 1709/4885SLC9A1 3543/4885
US-11173162-B2 Bicyclic heterocycles as FGFR4 inhibitors FGFR4, FGFR3, FGFR1 HCAR3 1187/4885KEAP1 2736/4885SLC9A1 3083/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 HCAR3 2260/4885KEAP1 2305/4885SLC9A1 664/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 HCAR3 611/4885KEAP1 836/4885SLC9A1 295/4885
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 HCAR3 1275/4885KEAP1 2257/4885SLC9A1 1433/4885

“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.