SCHEMBL5470906

SCHEMBL5470906

Cc1cc2n[nH]c(=O)n2c2cc(-c3cccc(CN4CCC(CCO)CC4)c3)c(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.58
PARP1 P09874 1/20 0.43
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 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
SCHEMBL5480599 0.91 CHEK1 (0.55) CHEK1PARP1
SCHEMBL5475658 0.87 CHEK1 (0.65) CHEK1
SCHEMBL5469780 0.87 CHEK1 (0.60) CHEK1
SCHEMBL5824016 0.86 CHEK1 (0.52) CHEK1
SCHEMBL5476441 0.84 CHEK1 (0.59) CHEK1HSP90AA1HSP90AB1
SCHEMBL5465275 0.80 CHEK1 (0.62) CHEK1
SCHEMBL5472919 0.80 CHEK1 (0.55) CHEK1PARP1
SCHEMBL5470737 0.80 CHEK1 (0.55) CHEK1
SCHEMBL5478137 0.79 CHEK1 (0.55) CHEK1PARP1
SCHEMBL5478959 0.79 CHEK1 (0.46) 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 2 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
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 13/4885PARP1 259/4885HSP90AA1 2760/4885

“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.