SCHEMBL13368751

SCHEMBL13368751

CCCCCCCCCCn1c(=O)[nH]c(=O)c2[nH]c(C)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
ADORA2B P29275 3/20 0.49
ADORA1 P30542 2/20 0.49
MAPK1 P28482 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
XBP1 P17861 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL13343375 0.99 ADORA2A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL190990 0.94 ADORA2A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL13368841 0.85 PDE2A (0.47) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8571168 0.85 ADORA2A (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3170224 0.84 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3188565 0.84 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3170806 0.84 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL15026860 0.84 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9644450 0.83 ADORA2A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL2473169 0.83 ADORA2A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713982-B2 Xanthines with HM74A receptor activity SMITHKLINE BEECHAM CORPORATION (US) 2010-05-11 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US 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-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 ADORA2A 8/4885PDE4A 408/4885PDE4B 592/4885

“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.