SCHEMBL5411368

SCHEMBL5411368

CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc(N)c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 6/20 0.47
PDE1B Q01064 6/20 0.47
PDE1C Q14123 6/20 0.47
PDE2A O00408 5/20 0.43
SLC16A1 P53985 1/20 0.43
ADORA1 P30542 6/20 0.43
ADORA2A P29274 5/20 0.43
ADORA2B P29275 5/20 0.43
ADORA3 P0DMS8 2/20 0.43
PDE5A O76074 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CFTR P13569 1/20 0.41
TSHR P16473 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
SCN1A P35498 1/20 0.41
PDE6C P51160 1/20 0.41

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
SCHEMBL3084224 0.81 PDE1A (0.52) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7000713 0.79 MAPT (0.47) PDE1APDE1BPDE1CPDE2AADORA1
SCHEMBL5419584 0.78 SLC16A1 (0.67) PDE1APDE1BPDE1CSLC16A1PDE5A
Isobutyraldehyde SCHEMBL3661931 0.77 PDE1A (0.48) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7446470 0.77 PDE1B (0.46) PDE1APDE1BPDE1CPDE2ASLC16A1
Butanone SCHEMBL3661929 0.75 PDE1A (0.46) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL11181039 0.75 PDE1A (0.47) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL11184207 0.73 PDE1A (0.45) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5407840 0.71 KDM4E (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL18330288 0.70 ALDH1A1 (0.54) ADORA3MAPK1ALDH1A1

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 2 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

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.