SCHEMBL5407470

SCHEMBL5407470

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc(OCCO)c3)n(Cc3cn(Cc4ccccc4)c4ccccc34)nc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 6/20 0.42
PDE1B Q01064 6/20 0.42
PDE1C Q14123 6/20 0.42
PDE2A O00408 4/20 0.42
SLC16A1 P53985 1/20 0.38
ICMT O60725 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
USP1 O94782 1/20 0.35
POLB P06746 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
SCHEMBL5407568 0.87 PDE1A (0.46) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5400113 0.85 SLC16A1 (0.47) PDE1APDE1BPDE1CSLC16A1
SCHEMBL5402582 0.85 SLC16A1 (0.42) SLC16A1
SCHEMBL5407655 0.83 SLC16A1 (0.37) PDE1APDE1BPDE1CSLC16A1MEN1
SCHEMBL5407635 0.82 SLC16A3 (0.38) PDE1APDE1BPDE1CSLC16A1MEN1
SCHEMBL5415437 0.82 PDE1A (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5415120 0.82 PDE1A (0.37) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5411378 0.81 TP53 (0.45) PDE1APDE1BPDE1CPDE2APOLB
SCHEMBL5411147 0.80 PDE1A (0.46) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL5415077 0.80 PDE1A (0.46) PDE1APDE1BPDE1CPDE2ASLC16A1

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 PDE1A 4056/4885PDE1B 4206/4885PDE1C 4660/4885

“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.