Xanthine

Xanthine

SCHEMBL692609

CC(C)Cc1nc2[nH]c(=O)n(C)c(=O)c2[nH]1.O=c1[nH]c(=O)c2[nH]cnc2[nH]1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.54
ADORA2A P29274 6/20 0.54
ACHE P22303 1/20 0.49
GDA Q9Y2T3 1/20 0.49
ADORA3 P0DMS8 7/20 0.41
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
CFTR P13569 2/20 0.37
ADORA1 P30542 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN1A P35498 1/20 0.37
PDE6C P51160 1/20 0.37

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
1-Methylxanthine SCHEMBL16859909 0.83 ADORA2B (0.79) ADORA2BADORA2AACHEGDAADORA3
SCHEMBL59950 0.82 ADORA2B (0.48) ADORA2BADORA2APDE2APDE5ACYP1A2
Phosphoric Acid SCHEMBL8500180 0.77 ADORA2B (0.43) ADORA2BADORA2APDE2APDE5ACYP1A2
SCHEMBL60159 0.76 TSHR (0.46) ADORA2BADORA2AACHEGDAADORA3
Xanthine SCHEMBL692608 0.74 ADORA2B (0.61) ADORA2BADORA2AACHEGDAADORA3
1-Methylxanthine SCHEMBL27663813 0.74 ADORA2B (0.77) ADORA2BADORA2AADORA3PDE4APDE4B
1-Methylxanthine SCHEMBL10996 0.73 ADORA2B (1.00) ADORA2BADORA2AACHEGDAADORA3
1-Methylxanthine SCHEMBL28309011 0.72 ADORA2B (0.96) ADORA2BADORA2AACHEGDAADORA3
1-Methylxanthine SCHEMBL9682658 0.72 ADORA2B (0.96) ADORA2BADORA2AACHEGDAADORA3
1-Methylxanthine SCHEMBL27529726 0.72 ADORA2B (0.96) ADORA2BADORA2AACHEGDAADORA3

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-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
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
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 873/4885ACHE 4467/4885
US-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, ABCC9, SLC26A4 ADORA2B 672/4885ADORA2A 1114/4885ACHE 4651/4885
US-20120101143-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-CFTR and Uses Thereof CFTR, ABCC9, ABCB11 ADORA2B 585/4885ADORA2A 979/4885ACHE 4613/4885
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 ADORA2B 1323/4885ADORA2A 1873/4885ACHE 3338/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT ADORA2B 1654/4885ADORA2A 2885/4885ACHE 4807/4885

“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.