SCHEMBL6904582

SCHEMBL6904582

O=c1cnc(=O)c2[nH]cnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
GDA Q9Y2T3 1/20 0.50
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
ADORA2B P29275 7/20 0.44
ADORA2A P29274 5/20 0.44
TDP1 Q9NUW8 2/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
ADORA3 P0DMS8 7/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
PTGS1 P23219 2/20 0.38
HBB P68871 2/20 0.38
XDH P47989 2/20 0.38
USP2 O75604 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
SCHEMBL10609477 0.77 ACHE (0.41) ACHEGDAABL1RIN1ADORA2B
Hypoxanthine SCHEMBL25383 0.76 ALDH1A1 (0.54) ACHEGDAABL1RIN1ADORA2B
Hypoxanthine SCHEMBL6673819 0.74 ALDH1A1 (0.52) ACHEGDAABL1RIN1ADORA2B
Hypoxanthine SCHEMBL28831842 0.74 ALDH1A1 (0.52) ACHEGDAABL1RIN1ADORA2B
Hypoxanthine SCHEMBL560394 0.74 ALDH1A1 (0.52) ACHEGDAABL1RIN1ADORA2B
Hypoxanthine SCHEMBL122844 0.74 ALDH1A1 (0.52) ACHEGDAABL1RIN1ADORA2B
SCHEMBL1009012 0.72 ACHE (0.50) ACHEGDAABL1RIN1ADORA2B
SCHEMBL6379644 0.72 ALDH1A1 (0.53) ACHEGDAABL1RIN1ADORA2A
SCHEMBL1898184 0.71 GDA (0.48) ACHEGDAABL1RIN1ADORA2B
SCHEMBL612212 0.71 ACHE (0.48) ACHEGDAABL1RIN1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US claimed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP claimed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US disclosed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 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 (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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B ACHE 52/4885GDA 181/4885ABL1 4131/4885

“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.