SCHEMBL5470780

SCHEMBL5470780

O=C1CCCN1CCCNCc1ccc(-c2cc3n[nH]c(=O)n3c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.47
AKT1 P31749 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK1 O14757 7/20 0.42
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CREBBP Q92793 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5470052 0.85 CHEK1 (0.53) CD274AKT1MEN1KMT2ACHEK1
SCHEMBL5470313 0.83 MEN1 (0.50) MEN1KMT2ACHEK1
SCHEMBL5475386 0.81 CHEK1 (0.56) CD274CHEK1SMN1; SMN2
SCHEMBL5469695 0.80 CHEK1 (0.58) CHEK1
SCHEMBL5465367 0.80 AKT1 (0.46) AKT1CHEK1DRD4SMN1; SMN2
SCHEMBL5469893 0.80 CHEK1 (0.49) CHEK1
SCHEMBL5475886 0.77 CHEK1 (0.52) CHEK1
SCHEMBL5470777 0.76 CHEK1 (0.44) CD274CHEK1
SCHEMBL5469208 0.75 CHEK1 (0.47) MEN1KMT2ACHEK1
SCHEMBL5470805 0.75 CHEK1 (0.47) CHEK1ALDH1A1

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 CD274 3043/4885AKT1 1166/4885MEN1 941/4885

“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.