SCHEMBL5407696

SCHEMBL5407696

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc(C#CCN4C(=O)c5ccccc5C4=O)c3)nc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.37
PDE1B Q01064 4/20 0.37
PDE1C Q14123 4/20 0.37
NPSR1 Q6W5P4 1/20 0.35
PDE2A O00408 2/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
PDE5A O76074 3/20 0.34
GRM5 P41594 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL5411300 0.89 PDE1A (0.41) PDE1APDE1BPDE1CNPSR1PDE2A
SCHEMBL5400142 0.88 PDE1A (0.36) PDE1APDE1BPDE1CNPSR1PDE2A
SCHEMBL5403200 0.88 PDE1B (0.39) PDE1APDE1BPDE1CPDE2AHSD17B13
SCHEMBL5419480 0.86 PDE1A (0.38) PDE1APDE1BPDE1CPDE2AHSD17B13
SCHEMBL5404642 0.86 PDE1A (0.37) PDE1APDE1BPDE1CPDE2AHSD17B13
SCHEMBL5461371 0.86 HPGD (0.40) PDE1APDE1BPDE1CPDE2AHSD17B13
SCHEMBL5397651 0.85 PDE1A (0.39) PDE1APDE1BPDE1CPDE2AHSD17B13
SCHEMBL5400203 0.85 LMNA (0.40) PDE1APDE1BPDE1CNPSR1PDE2A
SCHEMBL5393363 0.84 PDE1A (0.40) PDE1APDE1BPDE1CPDE2ADPP4
SCHEMBL5404250 0.84 PDE1A (0.40) PDE1APDE1BPDE1CNPSR1PDE2A

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.