SCHEMBL556077

SCHEMBL556077

CC(C)n1c(=O)n(C)c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
RXFP1 Q9HBX9 2/20 0.74
ADORA2B P29275 1/20 0.74
PDE1A P54750 2/20 0.71
PDE1B Q01064 2/20 0.71
PDE1C Q14123 2/20 0.71
POLB P06746 1/20 0.60
HIF1A Q16665 1/20 0.60
HTT P42858 2/20 0.59
UBE2N P61088 2/20 0.59
GLA P06280 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.56
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56
TP53 P04637 1/20 0.54
PDE2A O00408 1/20 0.52

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
SCHEMBL20011033 0.91 SMN1; SMN2 (0.76) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL28752095 0.89 ALDH1A1 (0.75) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL1944405 0.85 ADORA2B (1.00) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL556216 0.83 SMN1; SMN2 (0.80) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL555718 0.81 SMN1; SMN2 (0.76) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL11014928 0.81 POLB (0.83) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL1947180 0.80 SMN1; SMN2 (0.60) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL5237698 0.79 ADORA2B (0.72) SMN1; SMN2RXFP1ADORA2BPOLBLMNA
SCHEMBL555404 0.79 PDE1A (0.73) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL1947260 0.79 SMN1; SMN2 (0.58) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 US disclosed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US disclosed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 EP disclosed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 US disclosed
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-10-04 US disclosed
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 EP disclosed
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-02-16 US disclosed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 US disclosed
US-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 US disclosed
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 US disclosed
EP-1757606-B1 Xanthinderivatives for use as medical agents and the preparation thereof BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
EP-1953162-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
EP-1757606-A1 Xanthinderivatives, preparation thereof and their use as medical agents Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-02-28 EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 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 (13 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-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2484/4885RXFP1 165/4885ADORA2B 517/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885RXFP1 286/4885ADORA2B 283/4885
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885RXFP1 286/4885ADORA2B 283/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2484/4885RXFP1 165/4885ADORA2B 517/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885RXFP1 286/4885ADORA2B 283/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 SMN1; SMN2 4117/4885RXFP1 440/4885ADORA2B 979/4885

“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.