SCHEMBL5465189

SCHEMBL5465189

CC(O)CNCc1ccc(-c2cc3n[nH]c(=O)n3c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAP3K7 O43318 1/20 0.42
JAK2 O60674 1/20 0.42
KDR P35968 1/20 0.42
DNM1 Q05193 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
SCHEMBL5475386 0.85 CHEK1 (0.56) CHEK1MAP3K7JAK2KDR
SCHEMBL5475886 0.83 CHEK1 (0.52) CHEK1MAP3K7JAK2KDR
SCHEMBL5465172 0.83 CHEK1 (0.48) CHEK1MAP3K7JAK2KDR
SCHEMBL5470235 0.83 JAK1 (0.39) CHEK1ALDH1A1
SCHEMBL14492135 0.83 CHEK1 (0.60) CHEK1MAP3K7JAK2KDR
SCHEMBL5497035 0.81 CHEK1 (0.62) CHEK1MAP3K7JAK2KDR
SCHEMBL5470805 0.80 CHEK1 (0.47) CHEK1ALDH1A1MAP3K7JAK2KDR
SCHEMBL5476487 0.80 CHEK1 (0.44) CHEK1MAP3K7JAK2KDR
SCHEMBL5480654 0.79 CHEK1 (0.49) CHEK1MAP3K7JAK2KDR
SCHEMBL5470777 0.78 CHEK1 (0.44) CHEK1MAP3K7JAK2KDR

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 CHEK1 13/4885ALDH1A1 1270/4885CYP1A2 317/4885

“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.