SCHEMBL5469353

SCHEMBL5469353

O=c1[nH]nc2cc(-c3c(O)cccc3CN3CCC[C@H]3CO)c3ccccc3n12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.40
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 2/20 0.36
SPHK2 Q9NRA0 3/20 0.35
SPHK1 Q9NYA1 3/20 0.35
MAP3K7 O43318 1/20 0.35
JAK2 O60674 1/20 0.35
KDR P35968 1/20 0.35
CD274 Q9NZQ7 3/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.35
PDCD1 Q15116 1/20 0.35

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
SCHEMBL5469647 0.89 CD274 (0.41) CHEK1KDM4EFAAHSPHK2CD274
SCHEMBL5476538 0.87 CHEK1 (0.44) CHEK1KDM4EHSP90AA1HSP90AB1LMNA
SCHEMBL5475790 0.84 SPHK1 (0.47) CHEK1SPHK2SPHK1CD274PDCD1
SCHEMBL5475730 0.81 CHEK1 (0.44) CHEK1FAAHMAP3K7JAK2KDR
SCHEMBL5472646 0.81 CHEK1 (0.50) CHEK1KDM4EKDR
SCHEMBL5483219 0.76 DRD2 (0.47) CHEK1KDM4EPARP1LMNA
SCHEMBL5476236 0.72 CHEK1 (0.54) CHEK1MAP3K7JAK2KDR
SCHEMBL5469159 0.70 CHEK1 (0.57) CHEK1SPHK2SPHK1
SCHEMBL5472844 0.69 CHEK1 (0.52) CHEK1PARP1MAP3K7JAK2KDR
SCHEMBL5480704 0.69 CHEK1 (0.49) CHEK1KDR

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 4 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

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 13/4885KDM4E 3368/4885HSP90AA1 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.