SCHEMBL5483335

SCHEMBL5483335

COc1ccc2cc(CO)c3n[nH]c(=O)n3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE3A Q14432 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHEK1 O14757 3/20 0.40
BAZ2B Q9UIF8 2/20 0.40
BAZ2A Q9UIF9 2/20 0.40
MTNR1B P49286 1/20 0.40
CCNE2 O96020 2/20 0.38
CDK4 P11802 2/20 0.38
PRKACA P17612 2/20 0.38
PRKACG P22612 2/20 0.38
PRKACB P22694 2/20 0.38
CCND1 P24385 2/20 0.38

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
SCHEMBL5469934 0.82 CHEK1 (0.39) CHEK1
SCHEMBL5475725 0.81 CHEK1 (0.45) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL5470898 0.81 CHEK1 (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL5795592 0.79 ADORA1 (0.46) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL5478073 0.77 CHEK1 (0.63) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL5469037 0.73 CHEK1 (0.66) KDM4EALDH1A1CHEK1
SCHEMBL14492324 0.73 CHEK1 (0.47) KDM4EALDH1A1PDE1APDE1BPDE3B
SCHEMBL10743293 0.73 MTNR1B (0.42) KDM4EALDH1A1PDE1APDE1BPDE3B
SCHEMBL5469679 0.72 MAOA (0.44) ALDH1A1PDE1APDE1BPDE3BPDE1C
SCHEMBL8129340 0.66 KDM4E (0.49) KDM4EALDH1A1PDE1APDE1BPDE3B

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-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US claimed
JP-2006520397-A 2006-09-07 JP claimed
EP-1613625-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP claimed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 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-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 KDM4E 3368/4885ALDH1A1 1270/4885PDE1A 3278/4885

“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.