SCHEMBL555093

SCHEMBL555093

CCn1c(=O)c2c(ncn2Cc2ccccc2)n(CC)c1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
POLB P06746 1/20 0.64
HIF1A Q16665 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ADORA2B P29275 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
KMT2A Q03164 6/20 0.63
MEN1 O00255 4/20 0.63
CNOT7 Q9UIV1 1/20 0.61
PDE1A P54750 1/20 0.61
PDE1B Q01064 1/20 0.61
PDE1C Q14123 1/20 0.61
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL3186736 0.91 CNOT7 (0.61) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B
SCHEMBL10815559 0.91 KMT2A (0.75) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL555718 0.90 SMN1; SMN2 (0.76) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B
SCHEMBL7564815 0.88 ALDH1A1 (0.59) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B
SCHEMBL1944712 0.88 POLB (0.70) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B
SCHEMBL1945875 0.87 KMT2A (0.69) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B
SCHEMBL13986116 0.87 POLB (0.59) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B
SCHEMBL7605727 0.87 KMT2A (0.55) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B
SCHEMBL27600280 0.87 CNOT7 (0.80) ALDH1A1POLBHIF1ACNOT7TSHR
SCHEMBL7563973 0.86 POLB (0.58) ALDH1A1POLBHIF1ASMN1; SMN2ADORA2B

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 52 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
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 EP 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
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
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-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US disclosed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP 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-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO 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 (12 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-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885POLB 1152/4885HIF1A 1494/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 187/4885POLB 3674/4885HIF1A 2940/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ALDH1A1 238/4885POLB 3498/4885HIF1A 3443/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885POLB 1115/4885HIF1A 1605/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 363/4885POLB 3416/4885HIF1A 3736/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885POLB 1115/4885HIF1A 1605/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885POLB 3498/4885HIF1A 3443/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ALDH1A1 363/4885POLB 3416/4885HIF1A 3736/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 187/4885POLB 3674/4885HIF1A 2940/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885POLB 1152/4885HIF1A 1494/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 363/4885POLB 3416/4885HIF1A 3736/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 ALDH1A1 178/4885POLB 3724/4885HIF1A 2980/4885

“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.