SCHEMBL5478222

SCHEMBL5478222

COc1cc2c(C)cc3n[nH]c(=O)n3c2cc1-c1cccc(CNCCCN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.49
CD274 Q9NZQ7 3/20 0.42
PDCD1 Q15116 2/20 0.41
VSIR Q9H7M9 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5470085 0.90 CHEK1 (0.51) CHEK1CD274PDCD1VSIRMEN1
SCHEMBL5477733 0.85 CHEK1 (0.50) CHEK1
SCHEMBL5465440 0.85 CHEK1 (0.55) CHEK1CD274PDCD1
SCHEMBL5477683 0.85 CHEK1 (0.51) CHEK1
SCHEMBL5465695 0.84 CHEK1 (0.44) CHEK1CD274KMT2A
SCHEMBL5472867 0.81 CHEK1 (0.46) CHEK1
SCHEMBL5472824 0.81 CHEK1 (0.51) CHEK1
SCHEMBL5465231 0.81 CHEK1 (0.51) CHEK1
SCHEMBL5476761 0.81 CHEK1 (0.51) CHEK1
SCHEMBL5474879 0.81 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 CHEK1 13/4885CD274 3043/4885PDCD1 2495/4885

“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.