SCHEMBL5402814

SCHEMBL5402814

CC(C)Cn1c(=O)n(CCO)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 5/20 0.44
CYP2C9 P11712 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
CAMK2B Q13554 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 1/20 0.37
NPBWR1 P48145 3/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CMA1 P23946 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
SCHEMBL5395453 0.90 SLC16A1 (0.44) SLC16A1ALDH1A1SMN1; SMN2PDE5APDE3B
SCHEMBL5395371 0.90 SLC16A1 (0.52) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5395420 0.89 SLC16A1 (0.43) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5404180 0.89 ALDH1A1 (0.45) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5405296 0.89 SLC16A1 (0.42) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5409782 0.88 SLC16A1 (0.41) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5404441 0.88 SLC16A1 (0.42) SLC16A1ALDH1A1SMN1; SMN2PDE5APDE3B
SCHEMBL5400442 0.87 ALDH1A1 (0.44) SLC16A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5408067 0.87 SLC16A1 (0.41) SLC16A1ALDH1A1SMN1; SMN2PDE5APDE3B
SCHEMBL5411276 0.86 SLC16A1 (0.41) SLC16A1ALDH1A1SMN1; SMN2PDE5APDE3B

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.