SCHEMBL5397495

SCHEMBL5397495

Cc1sc(N)nc1-c1c2c(=O)n(C)c(=O)n(CC(C)C)c2nn1Cc1csc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.36
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE1C Q14123 2/20 0.35
PDE5A O76074 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SLC16A1 P53985 3/20 0.35
CYP2C9 P11712 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
CAMK2B Q13554 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL5402671 0.99 HSF1 (0.36) HSF1PDE1APDE1BPDE1CPDE5A
SCHEMBL5402570 0.87 SLC16A1 (0.36) HSF1PDE1APDE1BPDE1CSLC16A1
SCHEMBL5406059 0.85 SLC16A1 (0.39) PDE1APDE1BPDE1CPDE5APDE3B
Hydrochloric Acid SCHEMBL5402776 0.84 SLC16A1 (0.38) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5411081 0.84 SMN1; SMN2 (0.41) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5398349 0.84 PDE1A (0.37) HSF1PDE1APDE1BPDE1CPDE5A
SCHEMBL5408201 0.83 CTSL (0.34) PDE1APDE1BPDE1CSLC16A1CYP2C9
SCHEMBL5395357 0.83 PDE5A (0.39) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5398848 0.82 PDE1A (0.37) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5404342 0.81 PDE1A (0.38) PDE1APDE1BPDE1CPDE5APDE3B

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 6 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-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
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 HSF1 1220/4885PDE1A 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.