SCHEMBL5404652

SCHEMBL5404652

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3ccccc3-c3ccc(F)cc3)nc21

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.41
PDE5A O76074 8/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
LMNA P02545 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
SCHEMBL6659477 0.87 TP53 (0.41) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL5399832 0.87 PDE5A (0.37) PDE5APDE1APDE1BPDE1C
SCHEMBL5399340 0.86 PDE5A (0.37) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL5402768 0.85 TP53 (0.38) PDE5APDE1APDE1BPDE1C
SCHEMBL5399629 0.85 PDE1A (0.38) RIPK3PDE5APDE1APDE1BPDE1C
SCHEMBL5417969 0.85 MEN1 (0.39) PDE1APDE1BPDE1CLMNA
SCHEMBL5419638 0.84 PDE1A (0.39) RIPK3PDE5APDE1APDE1BPDE1C
SCHEMBL5405616 0.84 SLC16A1 (0.51) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL5403011 0.84 ADORA2A (0.40) PDE5APDE1APDE1BPDE1C
SCHEMBL5395371 0.83 SLC16A1 (0.52) PDE5APDE1APDE1BPDE1CLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO 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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC RIPK3 2599/4885PDE5A 933/4885PDE1A 4056/4885

“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.