SCHEMBL4248302

SCHEMBL4248302

CCCCCn1c(=O)n(C)c(=O)c2[nH]c(C(F)(F)F)nc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52
PDE4A P27815 1/20 0.49
ADORA2A P29274 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49

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
SCHEMBL4259058 0.96 PDE4A (0.53) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL4250791 0.88 SIRT1 (0.51) ADORA2A
SCHEMBL4256241 0.86 ADORA2B (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4252239 0.86 PDE4A (0.51) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL3183622 0.81 PDE4A (0.53) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL4249558 0.81 ADORA2B (0.49) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1713221 0.81 ADORA2A (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3177989 0.80 PDE4A (0.52) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL4256248 0.80 ADORA2B (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4251232 0.80 ADORA2A (0.49) PDE2APDE1APDE1BPDE1CPDE4A

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 PDE2A 1214/4885PDE1A 1243/4885PDE1B 1916/4885

“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.