SCHEMBL5403811

SCHEMBL5403811

C=CCOc1ccccc1Cn1nc2c(c1-c1nccs1)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.37
LMNA P02545 1/20 0.37
PDE1A P54750 3/20 0.36
PDE1B Q01064 3/20 0.36
PDE1C Q14123 3/20 0.36
MAPT P10636 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL5398781 0.87 PDE1A (0.41) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5399970 0.85 PDE5A (0.37) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5405849 0.84 PDE1A (0.41) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5399336 0.84 PDE5A (0.38) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5407601 0.84 SLC16A1 (0.49) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5405860 0.82 PDE5A (0.40) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5400727 0.80 TP53 (0.39) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5398777 0.79 PDE1A (0.41) PDE5ALMNAPDE1APDE1BPDE1C
SCHEMBL5419500 0.75 PDE1A (0.44) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL5403011 0.74 ADORA2A (0.40) PDE5APDE1APDE1BPDE1C

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 PDE5A 933/4885LMNA 4673/4885PDE1A 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.