SCHEMBL5404313

SCHEMBL5404313

CC/C=C(\Cn1nc2c(c1-c1ccc(COC(C)=O)o1)c(=O)n(C)c(=O)n2CC(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 2/20 0.32
PDE5A O76074 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDE7A Q13946 1/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5404321 1.00 PDE1A (0.36) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5397647 0.94 PDE1A (0.36) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5397654 0.94 PDE1A (0.36) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL6632698 0.86 PDE1A (0.42) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL6632690 0.86 PDE1A (0.42) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5410857 0.79 PDE1A (0.38) PDE1APDE1BPDE1CALDH1A1PDE5A
SCHEMBL5415192 0.79 LMNA (0.35) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5400039 0.78 SLC16A1 (0.36) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5407986 0.78 TP53 (0.42) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5407992 0.78 TP53 (0.42) PDE1APDE1BPDE1CALDH1A1LMNA

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.