SCHEMBL5404326

SCHEMBL5404326

CC(=O)Nc1ccc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
DPP4 P27487 1/20 0.39
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.36
PDE5A O76074 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5404486 0.86 PDE1A (0.49) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL5407653 0.84 TP53 (0.40) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL5400118 0.82 MTNR1B (0.43) PDE1APDE1BPDE1CSMN1; SMN2MEN1
SCHEMBL5405288 0.81 SLC16A1 (0.47) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL5405558 0.80 SLC16A1 (0.47) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL5411378 0.80 TP53 (0.45) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL5400652 0.80 MAPT (0.48) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL6659477 0.80 TP53 (0.41) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL5405716 0.79 TP53 (0.44) PDE1APDE1BPDE1CMAPTTP53
SCHEMBL5404004 0.79 MAPT (0.40) PDE1APDE1BPDE1CMAPTTP53

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.