SCHEMBL5482111

SCHEMBL5482111

Cc1cc2n[nH]c(=O)n2c2ccc(-c3ccc(CNCCCN4CCOCC4)cc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.63
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TNKS2 Q9H2K2 1/20 0.43

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
SCHEMBL5476394 0.87 CHEK1 (0.54) CHEK1
SCHEMBL5470313 0.84 MEN1 (0.50) CHEK1CYP3A4CYP2D6CYP2C19PARP1
SCHEMBL5470052 0.84 CHEK1 (0.53) CHEK1MEN1KMT2A
SCHEMBL5472874 0.82 CHEK1 (0.63) CHEK1
SCHEMBL5470085 0.82 CHEK1 (0.51) CHEK1PARP1MEN1KMT2A
SCHEMBL5469819 0.81 CHEK1 (0.54) CHEK1
SCHEMBL5478222 0.80 CHEK1 (0.49) CHEK1PARP1MEN1KMT2A
SCHEMBL5482136 0.77 CHEK1 (1.00) CHEK1
SCHEMBL5470153 0.77 CHEK1 (0.85) CHEK1
SCHEMBL5470204 0.76 CHEK1 (0.55) 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 2 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
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 13/4885CYP3A4 196/4885CYP2D6 238/4885

“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.