SCHEMBL5465290

SCHEMBL5465290

COc1cc2c(C)cc3n[nH]c(=O)n3c2cc1-c1cccc(CNC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
CHEK1 O14757 14/20 0.49
PARP1 P09874 3/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.40
GRIN2B Q13224 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
SCHEMBL5478082 0.99 KCNH2 (0.51) KCNH2CHEK1PARP1ALDH1A1CYP2D6
SCHEMBL5477731 0.99 CHEK1 (0.50) KCNH2CHEK1PARP1
SCHEMBL5470086 0.97 CHEK1 (0.51) KCNH2CHEK1PARP1
SCHEMBL5483367 0.89 CHEK1 (0.54) CHEK1PARP1
SCHEMBL5476451 0.88 CHEK1 (0.53) CHEK1PARP1
SCHEMBL5478137 0.88 CHEK1 (0.55) CHEK1PARP1
SCHEMBL5478204 0.88 CHEK1 (0.46) CHEK1
SCHEMBL5465697 0.87 CHEK1 (0.46) CHEK1ALDH1A1
SCHEMBL5469968 0.87 CHEK1 (0.47) CHEK1
SCHEMBL5470812 0.86 CHEK1 (0.49) 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 7 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
EP-1613625-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 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-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 KCNH2 4380/4885CHEK1 13/4885PARP1 259/4885

“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.