SCHEMBL5470231

SCHEMBL5470231

COc1cc2c(C)cc3n[nH]c(=O)n3c2cc1-c1cccc(CNCC2CCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.46
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ROCK2 O75116 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL5470824 0.90 CHEK1 (0.49) CHEK1ATML3MBTL1KDM4E
SCHEMBL5477731 0.85 CHEK1 (0.50) CHEK1
SCHEMBL5465290 0.84 KCNH2 (0.52) CHEK1GRIN2BALDH1A1
SCHEMBL5470086 0.84 CHEK1 (0.51) CHEK1
SCHEMBL5478082 0.84 KCNH2 (0.51) CHEK1GRIN2BALDH1A1
SCHEMBL5465231 0.83 CHEK1 (0.51) CHEK1
SCHEMBL5465440 0.83 CHEK1 (0.55) CHEK1
SCHEMBL5476761 0.83 CHEK1 (0.51) CHEK1
SCHEMBL5472824 0.83 CHEK1 (0.51) CHEK1
SCHEMBL5477683 0.83 CHEK1 (0.51) 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 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 CHEK1 13/4885ATM 189/4885L3MBTL1 3466/4885

“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.