SCHEMBL5403918

SCHEMBL5403918

CCC=C(Cn1nc2c(c1-c1cccc(N)c1)c(=O)n(C)c(=O)n2CC(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.39
PDE1B Q01064 3/20 0.39
PDE1C Q14123 3/20 0.39
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.34
PDE2A O00408 1/20 0.34
DPP4 P27487 2/20 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
SCHEMBL5403913 1.00 PDE1A (0.39) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL5410781 0.94 PDE1A (0.39) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL5410785 0.94 PDE1A (0.39) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL5393652 0.85 PDE1A (0.40) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL5393643 0.85 PDE1A (0.40) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL5407992 0.83 TP53 (0.42) PDE1APDE1BPDE1CLMNAALDH1A1
SCHEMBL5407986 0.83 TP53 (0.42) PDE1APDE1BPDE1CLMNAALDH1A1
SCHEMBL5411358 0.82 PDE1A (0.40) PDE1APDE1BPDE1CLMNAPDE2A
SCHEMBL5411362 0.82 PDE1A (0.40) PDE1APDE1BPDE1CLMNAPDE2A
SCHEMBL5411138 0.82 PDE1A (0.41) PDE1APDE1BPDE1CLMNASMN1; 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 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.