SCHEMBL5405860

SCHEMBL5405860

C=CCOc1ccccc1Cn1nc2c(c1-c1[nH]cnc1C)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.40
PDE2A O00408 2/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
CFTR P13569 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA1 P30542 1/20 0.40
SCN1A P35498 1/20 0.40
PDE6C P51160 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE3A Q14432 1/20 0.40

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 0.86 PDE1A (0.41) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL5405849 0.85 PDE1A (0.41) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL5399970 0.84 PDE5A (0.37) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL5399336 0.83 PDE5A (0.38) PDE5APDE1APDE1BPDE1CLMNA
SCHEMBL5407312 0.82 SLC16A1 (0.43) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL5413282 0.82 PDE1A (0.42) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL5403811 0.82 PDE5A (0.37) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL6659792 0.80 PDE1A (0.41) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL5400727 0.79 TP53 (0.39) PDE5APDE1APDE1BPDE1CTSHR
SCHEMBL5398777 0.78 PDE1A (0.41) 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 PDE5A 933/4885PDE2A 867/4885PDE1A 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.