SCHEMBL5731489

SCHEMBL5731489

CC(C)(C)OC(=O)NC(Cc1ncnc2c1ncn2Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.51
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
SLC29A1 Q99808 1/20 0.44
DAPK1 P53355 1/20 0.44
ADORA2A P29274 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
HTT P42858 1/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL5731429 1.00 ACE (0.51) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5731430 1.00 ACE (0.51) ACEPDE4APDE4BPDE4CPDE4D
Dimethylformamide SCHEMBL5732103 0.94 ACE (0.46) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5925921 0.91 DAPK1 (0.46) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5925918 0.91 DAPK1 (0.46) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5731483 0.87 FGFR1 (0.53) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5731479 0.87 FGFR1 (0.53) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5731477 0.87 FGFR1 (0.53) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5925920 0.81 PDE4A (0.47) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL5925939 0.80 FGFR1 (0.51) ACEPDE4APDE4BPDE4CPDE4D

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-20060128956-A1 (Purin-6-yl) amino acid and production method thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-06-15 US disclosed
EP-1615926-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 2006-01-18 EP disclosed
WO-2004094426-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF USTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED CESKÉ REPUBLIKY (CZ) 2004-11-04 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-20060128956-A1 (Purin-6-yl) amino acid and production method thereof PRPF3, PURB, PRPF31 ACE 2964/4885PDE4A 1935/4885PDE4B 1848/4885

“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.