SCHEMBL5480686

SCHEMBL5480686

Nc1cc2ccc(-c3ccco3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.64
ADORA2A P29274 3/20 0.40
PGR P06401 1/20 0.40
PDPK1 O15530 1/20 0.37
PIM1 P11309 1/20 0.37
BACE1 P56817 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL5470119 0.78 CHEK1 (1.00) CHEK1
SCHEMBL5465647 0.77 CHEK1 (0.64) CHEK1ADORA2APGRBACE1KCNH2
SCHEMBL5469935 0.76 CHEK1 (0.54) CHEK1
SCHEMBL5473192 0.76 CHEK1 (0.56) CHEK1ADORA2AADORA1KCNH2
SCHEMBL5475307 0.76 ADORA1 (0.45) CHEK1ADORA1
SCHEMBL5470133 0.75 CHEK1 (0.57) CHEK1PDPK1ADORA1
SCHEMBL4500850 0.71 CHEK1 (0.48) CHEK1ADORA2APGRPIM1ADORA2B
SCHEMBL5478028 0.71 CHEK1 (0.76) CHEK1
SCHEMBL5483135 0.70 CHEK1 (1.00) CHEK1
SCHEMBL5470234 0.70 CHEK1 (1.00) CHEK1

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 CHEK1 13/4885ADORA2A 2916/4885PGR 1499/4885

“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.