SCHEMBL5472844

SCHEMBL5472844

O=c1[nH]nc2cc(-c3ccc(CN4CCC(CO)CC4)cc3)c3ccccc3n12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.52
JAK2 O60674 2/20 0.42
JAK1 P23458 1/20 0.42
AKT1 P31749 3/20 0.42
AKT2 P31751 1/20 0.42
MAP3K7 O43318 1/20 0.41
KDR P35968 1/20 0.41
PARP1 P09874 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
SCHEMBL5475705 0.92 PARP1 (0.49) CHEK1JAK2AKT1AKT2MAP3K7
SCHEMBL5470131 0.86 CHEK1 (0.67) CHEK1KDRPARP1
SCHEMBL5473206 0.85 CHEK1 (0.52) CHEK1JAK2MAP3K7KDR
SCHEMBL5465085 0.84 CHEK1 (0.50) CHEK1JAK2MAP3K7KDR
SCHEMBL5465084 0.84 CHEK1 (0.54) CHEK1JAK2MAP3K7KDRPARP1
SCHEMBL5480684 0.84 CHEK1 (0.66) CHEK1
SCHEMBL5470117 0.83 CHEK1 (0.53) CHEK1JAK2JAK1KDRPARP1
SCHEMBL5475790 0.83 SPHK1 (0.47) CHEK1
SCHEMBL5478030 0.81 CHEK1 (0.48) CHEK1JAK1PARP1
SCHEMBL5497035 0.81 CHEK1 (0.62) CHEK1JAK2MAP3K7KDR

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 13/4885JAK2 668/4885JAK1 1540/4885

“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.