SCHEMBL5478035

SCHEMBL5478035

COc1ccc(-c2cc3n[nH]c(=O)n3c3ccccc23)cc1CNCCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ALOX15 P16050 1/20 0.41
CHEK1 O14757 10/20 0.41
F2 P00734 2/20 0.40
CD274 Q9NZQ7 1/20 0.38
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GNRHR P30968 1/20 0.35
ACP1 P24666 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
SCHEMBL5483204 0.89 CHEK1 (0.44) ALOX15CHEK1F2
SCHEMBL5478092 0.88 CHEK1 (0.46) HTR2AHTR2CALOX15CHEK1F2
SCHEMBL5470252 0.88 HTR2A (0.41) HTR2AHTR2CALOX15CHEK1F2
SCHEMBL5470777 0.84 CHEK1 (0.44) CHEK1CD274
SCHEMBL5469684 0.83 CHEK1 (0.57) CHEK1
SCHEMBL14492153 0.81 CHEK1 (0.53) CHEK1
SCHEMBL5470173 0.80 CHEK1 (0.44) CHEK1SMN1; SMN2ALDH1A1
SCHEMBL5477671 0.79 CHEK1 (0.44) CHEK1SMN1; SMN2ALDH1A1
SCHEMBL5472683 0.77 CHEK1 (0.46) CHEK1CD274
SCHEMBL5475543 0.76 CHEK1 (0.40) 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 HTR2A 4549/4885HTR2C 3842/4885ALOX15 3819/4885

“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.