SCHEMBL5402833

SCHEMBL5402833

CCCCc1ccc(Cn2c(=O)n(C)c(=O)c3c(-c4cccc(C(=O)O)c4)n(Cc4cccc5ccccc45)nc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.45
AGTR2 P50052 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.42
TLR7 Q9NYK1 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL5411110 0.92 MEN1 (0.47) AGTR1AGTR2MEN1KMT2APPARG
SCHEMBL5398394 0.92 MEN1 (0.52) MEN1KMT2APPARGMAPK8
SCHEMBL5410909 0.91 MEN1 (0.47) MEN1KMT2APPARGMAPK8
SCHEMBL5399553 0.91 MEN1 (0.41) AGTR1AGTR2MEN1KMT2A
SCHEMBL5404381 0.90 MEN1 (0.42) MEN1KMT2APPARG
SCHEMBL5415311 0.88 KMT2A (0.43) MEN1KMT2APPARG
SCHEMBL5418106 0.87 MAPT (0.47) MEN1KMT2A
SCHEMBL5410867 0.87 NPC1 (0.46) MEN1KMT2A
SCHEMBL5398717 0.86 MEN1 (0.45) MEN1KMT2A
SCHEMBL5395755 0.86 TSHR (0.46) MEN1KMT2A

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 AGTR1 3484/4885AGTR2 4062/4885MEN1 4216/4885

“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.