SCHEMBL5407655

SCHEMBL5407655

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc(OCCO)c3)n(Cc3csc4ccccc34)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 5/20 0.37
CYP2C9 P11712 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
CAMK2B Q13554 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE1C Q14123 2/20 0.35
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CMA1 P23946 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL5400113 0.88 SLC16A1 (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5402582 0.87 SLC16A1 (0.42) SLC16A1
SCHEMBL5411081 0.87 SMN1; SMN2 (0.41) SLC16A1PDE1APDE1BPDE1CALDH1A1
SCHEMBL5415326 0.86 DPP4 (0.39) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5395357 0.83 PDE5A (0.39) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5407635 0.83 SLC16A3 (0.38) SLC16A1PDE1APDE1BPDE1CALDH1A1
SCHEMBL5415120 0.83 PDE1A (0.37) SLC16A1PDE1APDE1BPDE1CALDH1A1
SCHEMBL5407470 0.83 PDE1A (0.42) SLC16A1PDE1APDE1BPDE1CMEN1
SCHEMBL5415437 0.82 PDE1A (0.41) SLC16A1PDE1APDE1BPDE1CMEN1
SCHEMBL5395967 0.81 NPBWR1 (0.41) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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 SLC16A1 4140/4885CYP2C9 82/4885MAPKAPK2 1817/4885

“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.