SCHEMBL2457079

SCHEMBL2457079

O=c1c2nc[nH]c2c2cccnc2n1-c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.81
PDE4B Q07343 7/20 0.81
PDE4C Q08493 7/20 0.81
PDE4D Q08499 7/20 0.81
FEN1 P39748 1/20 0.52
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
LDHA P00338 1/20 0.46
LOXL3 P58215 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KAT2B Q92831 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL7271411 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL9077293 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL7280371 0.78 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL7273701 0.76 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL7279657 0.75 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL7340105 0.75 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL7328426 0.73 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13143978 0.73 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8803918 0.73 PDE1A (0.56) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL7278277 0.73 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DFEN1

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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
EP-1613318-A4 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORP (US) 2009-03-11 EP disclosed
US-20060094714-A1 Compounds and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-04 US disclosed
EP-1613318-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-01-11 EP disclosed
WO-2004087880-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-10-14 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 (2 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF PDE4A 106/4885PDE4B 122/4885PDE4C 95/4885
US-20060094714-A1 Compounds and their use to treat diabetes and related disorders IAPP, SLC5A2, SLC5A1 PDE4A 470/4885PDE4B 359/4885PDE4C 446/4885

“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.