SCHEMBL5409782

SCHEMBL5409782

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

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 3/20 0.41
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
NPBWR1 P48145 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ALOX15 P16050 1/20 0.35
PDE5A O76074 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP2C9 P11712 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
CAMK2B Q13554 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL5399687 0.89 SLC16A1 (0.39) SLC16A1LMNAHPGDNPBWR1
SCHEMBL5402814 0.88 SLC16A1 (0.44) SLC16A1NPBWR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5395453 0.88 SLC16A1 (0.44) SLC16A1NPBWR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5404061 0.86 ALDH1A1 (0.39) SLC16A1LMNAHPGDALDH1A1MAPT
SCHEMBL5395371 0.86 SLC16A1 (0.52) SLC16A1LMNANPBWR1ALDH1A1MAPT
SCHEMBL5395420 0.86 SLC16A1 (0.43) SLC16A1LMNAHPGDNPBWR1SMN1; SMN2
SCHEMBL5408067 0.85 SLC16A1 (0.41) SLC16A1LMNANPBWR1ALDH1A1MAPT
SCHEMBL5411276 0.85 SLC16A1 (0.41) SLC16A1NPBWR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5405296 0.84 SLC16A1 (0.42) SLC16A1LMNANPBWR1ALDH1A1MAPT
SCHEMBL5404441 0.83 SLC16A1 (0.42) SLC16A1LMNAALDH1A1MAPTSMN1; SMN2

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 4140/4885LMNA 4673/4885HPGD 18/4885

“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.