SCHEMBL5404342

SCHEMBL5404342

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccn3C)n(Cc3csc4ccccc34)nc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE1C Q14123 3/20 0.38
SLC16A1 P53985 1/20 0.37
PDE5A O76074 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CMA1 P23946 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
SCHEMBL5405559 0.90 CMA1 (0.37) SLC16A1ALDH1A1HPGDCMA1
SCHEMBL5402899 0.90 PDE1A (0.34) PDE1APDE1BPDE1CSLC16A1
SCHEMBL5398847 0.90 CMA1 (0.35) SLC16A1ALDH1A1HPGDCMA1
SCHEMBL5400100 0.88 PDE5A (0.38) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL14371112 0.88 ADORA3 (0.34) PDE1APDE1BPDE1CALDH1A1HPGD
SCHEMBL5411081 0.88 SMN1; SMN2 (0.41) PDE1APDE1BPDE1CSLC16A1PDE5A
SCHEMBL5405148 0.88 ALDH1A1 (0.33) ALDH1A1HPGDCMA1
SCHEMBL5402616 0.87 CHRNA7 (0.40) PDE1APDE1BPDE1CALDH1A1CMA1
SCHEMBL5405106 0.87 CMA1 (0.33) SLC16A1ALDH1A1HPGDCMA1
SCHEMBL5398848 0.87 PDE1A (0.37) PDE1APDE1BPDE1CSLC16A1PDE5A

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 7 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-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US 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.