SCHEMBL5469679

SCHEMBL5469679

COc1ccc2c(c1)cc(CNCc1ccncc1)c1n[nH]c(=O)n12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ABCB1 P08183 1/20 0.38
GAA P10253 1/20 0.37
ADORA1 P30542 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.36
TACR3 P29371 1/20 0.36
ADORA2A P29274 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL14492324 0.74 CHEK1 (0.47) ALDH1A1GAAPDE1APDE1BPDE3B
SCHEMBL5478074 0.73 ADORA1 (0.38) MAOBPOLBALDH1A1ADORA1LMNA
SCHEMBL5483335 0.72 KDM4E (0.44) ALDH1A1PDE1APDE1BPDE3BPDE1C
SCHEMBL1042952 0.67 ALDH1A1 (0.66) POLBALDH1A1GAA
SCHEMBL10743293 0.65 MTNR1B (0.42) POLBALDH1A1GAAADORA1PDE1A
SCHEMBL5353863 0.64 ADORA1 (0.56) POLBALDH1A1ADORA1
SCHEMBL5475886 0.63 CHEK1 (0.52)
SCHEMBL5469691 0.62 CHEK1 (0.37) MAOAALDH1A1GAAADORA1
SCHEMBL5478073 0.62 CHEK1 (0.63) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL16818945 0.61 PTGDR2 (0.49) POLBALDH1A1CYP17A1CYP19A1

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 MAOA 2467/4885MAOB 1713/4885POLB 1467/4885

“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.