SCHEMBL4252239

SCHEMBL4252239

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
ADORA2A P29274 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE2A O00408 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51

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 0.90 PDE4A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4248302 0.86 PDE2A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4250791 0.82 SIRT1 (0.51) ADORA2A
SCHEMBL3175131 0.78 PDE4A (0.57) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL563378 0.76 ADORA2A (0.52) ADORA2A
SCHEMBL4251232 0.76 ADORA2A (0.49) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3177066 0.75 PDE4A (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3183622 0.75 PDE4A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4256248 0.74 ADORA2B (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3177989 0.74 PDE4A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D

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 3 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

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 PDE4A 417/4885ADORA2A 9/4885PDE4B 787/4885

“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.