SCHEMBL5478933

SCHEMBL5478933

Nc1cccc(-c2cc3n[nH]c(=O)n3c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.58
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE3A Q14432 1/20 0.46
PRKCA P17252 1/20 0.46
GSK3B P49841 1/20 0.46
BRD4 O60885 1/20 0.45
AURKA O14965 1/20 0.45
GRM2 Q14416 1/20 0.43
PDPK1 O15530 1/20 0.42

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
SCHEMBL5469980 0.89 CHEK1 (0.51) CHEK1PDE5APDE1APDE1BPDE3B
SCHEMBL5478918 0.86 CHEK1 (0.67) CHEK1GRM2
SCHEMBL14492158 0.85 CHEK1 (0.62) CHEK1GRM2
SCHEMBL5478029 0.81 CHEK1 (0.64) CHEK1GRM2
SCHEMBL5473278 0.81 CHEK1 (0.59) CHEK1PDE5APDE1APDE1BPDE3B
SCHEMBL5470155 0.81 CHEK1 (0.70) CHEK1GRM2
SCHEMBL5470112 0.79 CHEK1 (0.61) CHEK1
SCHEMBL5476205 0.79 CHEK1 (0.54) CHEK1
SCHEMBL5480742 0.79 CHEK1 (0.53) CHEK1PDE5APDE1APDE1BPDE3B
SCHEMBL5469843 0.78 CHEK1 (0.60) 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 13/4885PDE5A 1008/4885PDE1A 3278/4885

“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.