SCHEMBL5400652

SCHEMBL5400652

CC(=O)Nc1ccc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2cn(C)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
SLC16A1 P53985 1/20 0.38
DPP4 P27487 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CMA1 P23946 2/20 0.37
PTPN5 P54829 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALOX15 P16050 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
SCHEMBL5411378 0.90 TP53 (0.45) MAPTTP53ALDH1A1PDE1APDE1B
SCHEMBL5405288 0.87 SLC16A1 (0.47) MAPTTP53LMNAPDE1APDE1B
SCHEMBL5405558 0.87 SLC16A1 (0.47) MAPTTP53PDE1APDE1BPDE1C
SCHEMBL5405716 0.85 TP53 (0.44) MAPTTP53ALDH1A1LMNAPDE1A
SCHEMBL6659477 0.83 TP53 (0.41) MAPTTP53ALDH1A1LMNAPDE1A
SCHEMBL5407653 0.83 TP53 (0.40) MAPTTP53ALDH1A1PDE1APDE1B
SCHEMBL5404004 0.81 MAPT (0.40) MAPTTP53ALDH1A1LMNAPDE1A
SCHEMBL5400727 0.81 TP53 (0.39) MAPTTP53LMNAPDE1APDE1B
SCHEMBL5404242 0.80 XIAP (0.46) MAPTTP53SLC16A1
SCHEMBL5404326 0.80 PDE1A (0.42) MAPTTP53ALDH1A1LMNAPDE1A

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 MAPT 4180/4885TP53 1580/4885ALDH1A1 903/4885

“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.