SCHEMBL7680705

SCHEMBL7680705

CCCCc1nc(=O)c2[nH]cnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.49
ADORA2A P29274 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA2B P29275 2/20 0.49
POLA1 P09884 2/20 0.44
XDH P47989 5/20 0.44
GPR84 Q9NQS5 5/20 0.43
PARP1 P09874 1/20 0.41
ACHE P22303 1/20 0.40
GDA Q9Y2T3 1/20 0.40

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
SCHEMBL28252087 0.91 ADORA2A (0.47) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL11133896 0.84 ADORA2A (0.47) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7680703 0.76 XDH (0.60) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL28004982 0.73 XDH (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL28080849 0.73 ABL1 (0.41) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL28004933 0.72 XDH (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1898184 0.72 GDA (0.48) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9706231 0.72 PARP1 (0.54) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL28817761 0.72 ADORA3 (0.49) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL28194636 0.71 GDA (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002085904-A1 SNYTHESIS AND METHODS OF USE OF PURINE ANALOGUES AND DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2002-10-31 WO disclosed
US-20020156277-A1 Synthesis and methods of use of purine analogues and derivatives NEO THERAPEUTICS, INC. 2002-10-24 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-20020156277-A1 Synthesis and methods of use of purine analogues and derivatives SLC29A1, ATIC, PNP PDE4A 236/4885ADORA2A 4/4885PDE4B 209/4885

“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.