Xanthine

Xanthine

SCHEMBL1495091

[2H]c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

nearest known ligand 0.66

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 3/20 0.66
ACHE P22303 1/20 0.66
ADORA2B P29275 2/20 0.39
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
PABPC1 P11940 1/20 0.34
ADORA2A P29274 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 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
Xanthine SCHEMBL4965 0.79 GDA (1.00) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL29669592 0.79 GDA (1.00) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL2352524 0.79 GDA (1.00) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL31152020 0.78 GDA (0.96) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL7044227 0.78 GDA (0.96) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL31048830 0.78 GDA (0.96) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL1507586 0.78 GDA (0.96) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL31488667 0.78 GDA (0.96) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL2454001 0.78 GDA (0.96) GDAACHEADORA2BTDP1ALDH1A1
Xanthine SCHEMBL6783299 0.78 GDA (0.96) GDAACHEADORA2BTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
EP-2473052-A1 SUBSTITUTED XANTHINE DERIVATIVES Concert Pharmaceuticals Inc. (US) 2012-07-11 EP disclosed
US-20110059995-A1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2011-03-10 US disclosed
WO-2011028835-A1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-03-10 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 (1 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-20110059995-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 GDA 334/4885ACHE 945/4885ADORA2B 60/4885

“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.