SCHEMBL5407983

SCHEMBL5407983

COc1ccc2ccccc2c1Cn1nc2c(c1-c1nccn1C)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.42
PDE5A O76074 6/20 0.41
SLC16A1 P53985 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FGB P02675 1/20 0.37
ALOX15 P16050 1/20 0.37
TNNI3 P19429 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
TNNT2 P45379 1/20 0.37
CASP7 P55210 1/20 0.37
TNNC1 P63316 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HSD17B10 Q99714 1/20 0.37
XIAP P98170 1/20 0.37
PDE3B Q13370 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
SCHEMBL5398885 0.87 NPBWR1 (0.45) NPBWR1PDE5ASLC16A1MAPTMEN1
SCHEMBL5400603 0.85 SLC16A1 (0.52) PDE5ASLC16A1MAPTMEN1KMT2A
SCHEMBL5403865 0.85 PDE5A (0.45) NPBWR1PDE5APDE3BPDE3A
SCHEMBL6656130 0.85 PDE5A (0.41) NPBWR1PDE5AMAPTMAPK1PDE3B
SCHEMBL5407560 0.81 SLC16A1 (0.45) SLC16A1
SCHEMBL5395967 0.81 NPBWR1 (0.41) NPBWR1PDE5ASLC16A1MAPTMEN1
SCHEMBL5404511 0.80 NPBWR1 (0.40) NPBWR1PDE5ASLC16A1MAPTMEN1
SCHEMBL5404242 0.80 XIAP (0.46) NPBWR1PDE5ASLC16A1MAPTKMT2A
SCHEMBL5398879 0.79 NPBWR1 (0.43) NPBWR1PDE5ASLC16A1MAPTKMT2A
SCHEMBL5398848 0.78 PDE1A (0.37) PDE5ASLC16A1PDE3BPDE3APDE1A

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 NPBWR1 3728/4885PDE5A 933/4885SLC16A1 4140/4885

“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.