SCHEMBL4256248

SCHEMBL4256248

CCCCn1c(=O)n(CCCC(=O)O)c(=O)c2[nH]c(C(F)(F)F)nc21

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.50
ADORA1 P30542 4/20 0.50
ADORA3 P0DMS8 3/20 0.50
ADORA2A P29274 3/20 0.50
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL4249558 0.97 ADORA2B (0.49) ADORA2BADORA1ADORA3ADORA2APDE4A
SCHEMBL4250791 0.91 SIRT1 (0.51) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4249256 0.85 ADORA2A (0.46) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4256241 0.84 ADORA2B (0.46) ADORA2BADORA1ADORA3ADORA2APDE4A
SCHEMBL4259058 0.83 PDE4A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL837990 0.79 ADORA2B (0.52) ADORA2BADORA1ADORA3ADORA2APDE4A
SCHEMBL3123746 0.79 ADORA2B (0.52) ADORA2BADORA1ADORA3ADORA2APDE4A
SCHEMBL837398 0.77 ADORA2B (0.52) ADORA2BADORA1ADORA3ADORA2APDE4A
SCHEMBL836739 0.74 ADORA1 (0.57) ADORA2BADORA1ADORA3ADORA2APDE4A
SCHEMBL4252239 0.74 PDE4A (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
EP-1805180-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SmithKline Beecham Corporation (US) 2007-07-11 EP disclosed
WO-2006045565-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-04 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-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity XDH, HCAR1, GPR84 ADORA2B 131/4885ADORA1 24/4885ADORA3 46/4885

“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.