Xanthine

Xanthine

SCHEMBL692608

CC(C)CCn1c(=O)[nH]c2nc[nH]c2c1=O.O=c1[nH]c(=O)c2[nH]cnc2[nH]1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.61
ADORA2A P29274 9/20 0.61
ADORA3 P0DMS8 7/20 0.61
PDE4A P27815 7/20 0.61
PDE4B Q07343 7/20 0.61
PDE4C Q08493 7/20 0.61
PDE4D Q08499 7/20 0.61
ACHE P22303 1/20 0.55
GDA Q9Y2T3 1/20 0.55
PDE2A O00408 2/20 0.49
PDE1A P54750 2/20 0.49
PDE1B Q01064 2/20 0.49
PDE1C Q14123 2/20 0.49
ADORA1 P30542 2/20 0.42
PDE3A Q14432 2/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CFTR P13569 2/20 0.41
PDE5A O76074 1/20 0.38

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
SCHEMBL59949 0.91 ADORA2B (0.72) ADORA2BADORA2AADORA3PDE4APDE4B
Phosphoric Acid SCHEMBL8500178 0.85 ADORA2B (0.64) ADORA2BADORA2AADORA3PDE4APDE4B
1-Methylxanthine SCHEMBL16859909 0.79 ADORA2B (0.79) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL60158 0.78 ADORA2A (0.70) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL4423680 0.76 ADORA2B (1.00) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL383123 0.76 ADORA2A (0.72) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL27256851 0.76 ADORA2B (0.68) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL5451521 0.76 ADORA2B (0.68) ADORA2BADORA2AADORA3PDE4APDE4B
Xanthine SCHEMBL692609 0.74 ADORA2B (0.54) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL6233166 0.74 ADORA2B (1.00) ADORA2BADORA2AADORA3PDE4APDE4B

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20120101143-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-CFTR and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-26 US disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
EP-2421956-A2 COMPOSITIONS AND METHODS FOR DERIVING OR CULTURING PLURIPOTENT CELLS The Whitehead Institute for Biomedical Research (US) 2012-02-29 EP disclosed
US-7939558-B2 Compounds having activity in increasing ion transport by mutant-CFTR and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-10 US disclosed
US-20110088107-A1 COMPOSITIONS AND METHODS FOR DERIVING OR CULTURING PLURIPOTENT CELLS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2011-04-14 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2010124290-A2 COMPOSITIONS AND METHODS FOR DERIVING OR CULTURING PLURIPOTENT CELLS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-10-28 WO disclosed
US-7696244-B2 Compounds having activity in increasing ion transport by mutant-CFTR and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 US disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed
WO-2009051910-A1 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
US-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
EP-1765347-A4 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF UNIV CALIFORNIA (US) 2008-10-01 EP disclosed
EP-1863522-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-12 EP disclosed
US-20070265316-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-15 US disclosed
EP-1765347-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF The Regents of the University of California (US) 2007-03-28 EP disclosed
WO-2006101740-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 WO disclosed
WO-2005120497-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 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 (5 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-20070265316-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, SLC47A1, SLC47A2 ADORA2B 714/4885ADORA2A 873/4885ADORA3 427/4885
US-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, ABCC9, SLC26A4 ADORA2B 672/4885ADORA2A 1114/4885ADORA3 645/4885
US-20120101143-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-CFTR and Uses Thereof CFTR, ABCC9, ABCB11 ADORA2B 585/4885ADORA2A 979/4885ADORA3 584/4885
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 ADORA2B 1323/4885ADORA2A 1873/4885ADORA3 213/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT ADORA2B 1654/4885ADORA2A 2885/4885ADORA3 1308/4885

“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.