SCHEMBL5403865

SCHEMBL5403865

COc1ccc2ccccc2c1Cn1nc2c(c1-c1ncc(C)[nH]1)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.45
NPBWR1 P48145 1/20 0.42
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
LMNA P02545 1/20 0.37

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
SCHEMBL5398885 0.86 NPBWR1 (0.45) PDE5ANPBWR1
SCHEMBL6656130 0.85 PDE5A (0.41) PDE5ANPBWR1PDE3BPDE3ALMNA
SCHEMBL5407983 0.85 NPBWR1 (0.42) PDE5ANPBWR1PDE3BPDE3A
SCHEMBL5395967 0.79 NPBWR1 (0.41) PDE5ANPBWR1
SCHEMBL5404511 0.79 NPBWR1 (0.40) PDE5ANPBWR1LMNA
SCHEMBL5404242 0.79 XIAP (0.46) PDE5ANPBWR1
SCHEMBL5398879 0.78 NPBWR1 (0.43) PDE5ANPBWR1
SCHEMBL5395271 0.73 SLC16A1 (0.49) PDE5APDE3BPDE3ALMNA
SCHEMBL5394043 0.70 SLC16A1 (0.52) PDE5APDE3BPDE3ALMNA
SCHEMBL5400640 0.70 SLC16A1 (0.54) PDE5APDE3BPDE3ALMNA

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 2 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

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 933/4885NPBWR1 3728/4885PDE3B 420/4885

“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.