SCHEMBL5407992

SCHEMBL5407992

CCC=C(Cn1nc2c(c1-c1ccc(NC(C)=O)cc1)c(=O)n(C)c(=O)n2CC(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
DPP4 P27487 1/20 0.38
ADORA2B P29275 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5407986 1.00 TP53 (0.42) TP53MAPTPDE1APDE1BPDE1C
SCHEMBL5413286 0.94 TP53 (0.42) TP53MAPTPDE1APDE1BPDE1C
SCHEMBL5413279 0.94 TP53 (0.42) TP53MAPTPDE1APDE1BPDE1C
SCHEMBL5403918 0.83 PDE1A (0.39) MAPTPDE1APDE1BPDE1CDPP4
SCHEMBL5403913 0.83 PDE1A (0.39) MAPTPDE1APDE1BPDE1CDPP4
SCHEMBL5411138 0.82 PDE1A (0.41) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5411144 0.82 PDE1A (0.41) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL5411358 0.81 PDE1A (0.40) PDE1APDE1BPDE1CLMNA
SCHEMBL5411362 0.81 PDE1A (0.40) PDE1APDE1BPDE1CLMNA
SCHEMBL6632690 0.80 PDE1A (0.42) MAPTPDE1APDE1BPDE1CALDH1A1

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 TP53 1580/4885MAPT 4180/4885PDE1A 4056/4885

“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.