SCHEMBL5403948

SCHEMBL5403948

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3nccn3C)n(Cc3cccc(Cl)c3Cl)nc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.39
PDE1B Q01064 3/20 0.39
PDE1C Q14123 3/20 0.39
PDE2A O00408 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL5400603 0.86 SLC16A1 (0.52) PDE1APDE1BPDE1C
SCHEMBL5407560 0.83 SLC16A1 (0.45)
SCHEMBL5413282 0.83 PDE1A (0.42) PDE1APDE1BPDE1CPDE2ATDP1
SCHEMBL5407603 0.82 PDE1A (0.40) PDE1APDE1BPDE1CPDE2A
SCHEMBL5408098 0.82 PDE1A (0.37) PDE1APDE1BPDE1CPDE2A
SCHEMBL5400103 0.82 PDE1A (0.42) PDE1APDE1BPDE1CPDE2A
SCHEMBL5399832 0.82 PDE5A (0.37) PDE1APDE1BPDE1C
SCHEMBL5399970 0.82 PDE5A (0.37) PDE1APDE1BPDE1C
SCHEMBL5407784 0.81
SCHEMBL5393985 0.81 PDE1A (0.40) PDE1APDE1BPDE1CPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1573000-B1 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
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 PDE1A 4056/4885PDE1B 4206/4885PDE1C 4660/4885

“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.