SCHEMBL5404206

SCHEMBL5404206

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3ccccc3OCc3ccccc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER1 P34995 3/20 0.41
PDE1A P54750 4/20 0.40
PDE1B Q01064 4/20 0.40
PDE1C Q14123 4/20 0.40
PDE2A O00408 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
DPP4 P27487 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37

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
SCHEMBL5419500 0.86 PDE1A (0.44) PDE1APDE1BPDE1CPDE2A
SCHEMBL5407645 0.85 SLC16A1 (0.47) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL6630776 0.84 PDE1A (0.41) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5417969 0.84 MEN1 (0.39) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5398859 0.84 SLC16A1 (0.45) SLC16A1
SCHEMBL5407969 0.83 SLC22A12 (0.46) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5393473 0.83 KMT2A (0.40) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL6630358 0.83 MEN1 (0.44) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5410940 0.82 PDE1A (0.44) PDE1APDE1BPDE1CPDE2A
SCHEMBL5407705 0.81 DPP4 (0.40) MEN1KMT2APDE1APDE1BPDE1C

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 MEN1 4216/4885KMT2A 3837/4885PTGER1 215/4885

“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.