SCHEMBL5407589

SCHEMBL5407589

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccn3C)n(Cc3c[nH]nc3-c3ccccc3)nc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1C Q14123 4/20 0.38
PDE2A O00408 2/20 0.35
PDE5A O76074 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5418150 0.87 PDE1A (0.38) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL5393473 0.83 KMT2A (0.40) PDE1APDE1BPDE1CADORA2BALDH1A1
SCHEMBL6718420 0.82 PDE1A (0.39) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL5404004 0.82 MAPT (0.40) PDE1APDE1BPDE1CADORA2BALDH1A1
SCHEMBL5415120 0.81 PDE1A (0.37) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL5402601 0.80 SLC16A1 (0.53) PDE1APDE1BPDE1CPDE5AALDH1A1
SCHEMBL5407500 0.80 SLC16A1 (0.45)
SCHEMBL5399340 0.79 PDE5A (0.37) PDE1APDE1BPDE1CPDE5ALMNA
SCHEMBL5415192 0.79 LMNA (0.35) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5399336 0.79 PDE5A (0.38) PDE1APDE1BPDE1CPDE5ALMNA

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.