SCHEMBL4249256

SCHEMBL4249256

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.46
ADORA1 P30542 5/20 0.46
ADORA2B P29275 4/20 0.46
ADORA3 P0DMS8 2/20 0.45

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 0.88 ADORA2B (0.49) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4250791 0.87 SIRT1 (0.51) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4256248 0.85 ADORA2B (0.50) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3121114 0.84 ADORA1 (0.48) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4256241 0.82 ADORA2B (0.46) ADORA2AADORA1ADORA2BADORA3
SCHEMBL836750 0.82 ADORA1 (0.48) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3115564 0.81 ADORA1 (0.48) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4259058 0.80 PDE4A (0.53) ADORA2A
SCHEMBL4248302 0.79 PDE2A (0.52) ADORA2A
SCHEMBL836789 0.74 TNF (0.54) ADORA2AADORA1ADORA2BADORA3

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 ADORA2A 9/4885ADORA1 24/4885ADORA2B 131/4885

“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.