SCHEMBL5470313

SCHEMBL5470313

O=c1[nH]nc2cc(-c3ccc(CNCCCN4CCOCC4)cc3)c3ccccc3n12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHEK1 O14757 9/20 0.49
PARP1 P09874 5/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL5482111 0.84 CHEK1 (0.63) MEN1KMT2ACHEK1PARP1CYP3A4
SCHEMBL5470780 0.83 CD274 (0.47) MEN1KMT2ACHEK1
SCHEMBL5475386 0.82 CHEK1 (0.56) CHEK1
SCHEMBL5469695 0.81 CHEK1 (0.58) CHEK1
SCHEMBL5465367 0.81 AKT1 (0.46) CHEK1
SCHEMBL5469901 0.80 L3MBTL1 (0.47) CHEK1L3MBTL1HTT
SCHEMBL5475886 0.78 CHEK1 (0.52) CHEK1
SCHEMBL5473293 0.77 CHEK1 (0.51) CHEK1
SCHEMBL5470085 0.77 CHEK1 (0.51) MEN1KMT2ACHEK1PARP1
SCHEMBL5480654 0.76 CHEK1 (0.49) MEN1KMT2ACHEK1

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 1 patent. 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 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 MEN1 941/4885KMT2A 3224/4885CHEK1 13/4885

“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.