SCHEMBL5480704

SCHEMBL5480704

COc1cccc(CN2CCN(C)CC2)c1-c1cc2n[nH]c(=O)n2c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.49
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HRH2 P25021 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR6 P50406 6/20 0.41
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
GAA P10253 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL5476213 0.87 HTR1A (0.48) CHEK1DRD4DRD3HTR6HTR7
SCHEMBL5472646 0.87 CHEK1 (0.50) CHEK1HTR6KDRGAAADORA2A
SCHEMBL5478214 0.86 CHEK1 (0.54) CHEK1DRD2DRD4HRH2DRD3
SCHEMBL5469647 0.81 CD274 (0.41) CHEK1
SCHEMBL5470131 0.79 CHEK1 (0.67) CHEK1KDR
SCHEMBL5470208 0.78 CHEK1 (0.52) CHEK1
SCHEMBL5473010 0.78 CHEK1 (0.54) CHEK1
SCHEMBL5470252 0.77 HTR2A (0.41) CHEK1GAA
SCHEMBL5465346 0.74 LMNA (0.49) CHEK1DRD2DRD4DRD3HTR7
SCHEMBL5483219 0.74 DRD2 (0.47) CHEK1DRD2DRD4DRD3HTR7

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 13/4885DRD2 4307/4885DRD4 3553/4885

“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.