SCHEMBL5403451

SCHEMBL5403451

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3ccc4ccccc4c3)nc21

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.44
PDE1B Q01064 4/20 0.44
PDE1C Q14123 4/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
ESR1 P03372 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE2A O00408 2/20 0.38
GAA P10253 1/20 0.38
PDE5A O76074 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPBWR1 P48145 1/20 0.38
FAAH O00519 1/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 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
SCHEMBL5419589 0.89 PDE1A (0.52) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5407727 0.87 PDE1A (0.45) PDE1APDE1BPDE1CALDH1A1SMN1; SMN2
SCHEMBL5402553 0.85 PDE1A (0.41) PDE1APDE1BPDE1CALDH1A1MEN1
SCHEMBL5393375 0.85 KMT2A (0.46) PDE1APDE1BPDE1CALDH1A1SMN1; SMN2
SCHEMBL5402794 0.84 PDE1B (0.41) PDE1APDE1BPDE1CALDH1A1PDE2A
SCHEMBL5395371 0.84 SLC16A1 (0.52) PDE1APDE1BPDE1CALDH1A1SMN1; SMN2
SCHEMBL5393363 0.83 PDE1A (0.40) PDE1APDE1BPDE1CALDH1A1PDE2A
SCHEMBL5400574 0.83 ADORA2B (0.48) PDE1APDE1BPDE1CALDH1A1SMN1; SMN2
SCHEMBL5398896 0.83 PCSK9 (0.43) PDE1APDE1BPDE1CHIF1A
SCHEMBL5411300 0.82 PDE1A (0.41) PDE1APDE1BPDE1CALDH1A1SMN1; SMN2

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.