SCHEMBL2539449

SCHEMBL2539449

C#Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ADORA2B P29275 2/20 0.45
GDA Q9Y2T3 3/20 0.40
ACHE P22303 1/20 0.40
XDH P47989 3/20 0.39
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RPS6KA3 P51812 1/20 0.34
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
ADORA2A P29274 2/20 0.33
DPYD Q12882 1/20 0.33
PABPC1 P11940 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3423321 0.73 MAPT (0.44) MAPTADORA2BGDAACHEXDH
SCHEMBL5006819 0.72 XDH (0.42) MAPTADORA2BGDAACHEXDH
SCHEMBL932949 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL30728071 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH
Uric Acid SCHEMBL30269772 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH
Uric Acid SCHEMBL2786719 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL2837685 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL932609 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH
Uric Acid SCHEMBL28407297 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL29737686 0.69 MAPT (0.53) MAPTADORA2BGDAACHEXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465859-A1 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists Life & Brain GmbH (DE) 2012-06-20 EP claimed
WO-2012076974-A1 8-TRIAZOLYLXANTHINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS LIFE & BRAIN GMBH (DE) 2012-06-14 WO claimed
EP-2097415-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS Schwarz Pharma AG (DE) 2009-09-09 EP claimed
WO-2008077557-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS SCHWARZ PHARMA AG (DE) 2008-07-03 WO claimed
US-20240002416-A1 MRGPRX4 Agonists and Antagonists RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2024-01-04 US disclosed
EP-4229059-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2023-08-23 EP disclosed
WO-2022079245-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2022-04-21 WO disclosed
WO-2016159746-A1 NOVEL ETHYNYLXANTHINES, THEIR PREPARATION AND USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AND ANGIOGENESIS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2016159745-A1 ETHYNYLXANTHINES, PREPARATION AND USE FOR CANCER TREATMENT LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2016159747-A1 ETHYNYLXANTHINES, PREPARATION AND USE AS CALCIUM ION CHANNEL MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2016159745-A1 ETHYNYLXANTHINES, PREPARATION AND USE FOR CANCER TREATMENT LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2016159746-A1 NOVEL ETHYNYLXANTHINES, THEIR PREPARATION AND USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AND ANGIOGENESIS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2012076974-A1 8-TRIAZOLYLXANTHINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS LIFE & BRAIN GMBH (DE) 2012-06-14 WO disclosed
US-8044061-B2 Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. UCB PHARMA GMBH (DE) 2011-10-25 US disclosed
CN-101631788-A 8-alkynyl xanthine and derivative SANOL ARZNEI SCHWARZ GMBH 2010-01-20 CN disclosed
EP-2097415-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS Schwarz Pharma AG (DE) 2009-09-09 EP disclosed
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) 2008-09-11 US disclosed
WO-2008077557-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS SCHWARZ PHARMA AG (DE) 2008-07-03 WO disclosed
EP-1939197-A1 8-ethinylxanthine derivatives as selective A2A receptor antagonists SCHWARZ PHARMA AG (DE) 2008-07-02 EP disclosed
EP-1939197-A1 8-ethinylxanthine derivatives as selective A2A receptor antagonists SCHWARZ PHARMA AG (DE) 2008-07-02 EP 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-20240002416-A1 MRGPRX4 Agonists and Antagonists MRGPRX4, MRGPRX1, MRGPRX2 MAPT 4456/4885ADORA2B 262/4885GDA 1475/4885
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES SLC6A3, PARK7, SLC18A2 MAPT 757/4885ADORA2B 279/4885GDA 374/4885

“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.