SCHEMBL5402768

SCHEMBL5402768

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3nn(C)cc3Cl)n(Cc3ccccc3-c3ccc(F)cc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE1C Q14123 3/20 0.38
PDE5A O76074 6/20 0.36
NPBWR1 P48145 1/20 0.35
PDE2A O00408 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5404652 0.85 RIPK3 (0.41) PDE1APDE1BPDE1CPDE5A
SCHEMBL5399340 0.84 PDE5A (0.37) PDE1APDE1BPDE1CPDE5A
SCHEMBL5399832 0.82 PDE5A (0.37) PDE1APDE1BPDE1CPDE5A
SCHEMBL5417969 0.82 MEN1 (0.39) PDE1APDE1BPDE1C
SCHEMBL5410940 0.82 PDE1A (0.44) PDE1APDE1BPDE1CPDE5APDE2A
SCHEMBL5407922 0.81 SLC16A1 (0.41) PDE1APDE1BPDE1CPDE2A
SCHEMBL6659477 0.81 TP53 (0.41) TP53PDE1APDE1BPDE1CPDE5A
SCHEMBL5411147 0.78 PDE1A (0.46) PDE1APDE1BPDE1CPDE2A
SCHEMBL5405616 0.78 SLC16A1 (0.51) TP53PDE1APDE1BPDE1CPDE5A
SCHEMBL5398277 0.77 LMNA (0.37) PDE1APDE1BPDE1CPDE5AALDH1A1

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 TP53 1580/4885PDE1A 4056/4885PDE1B 4206/4885

“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.