SCHEMBL5403011

SCHEMBL5403011

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3ccccc3OC(F)(F)F)nc21

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
SLC16A1 P53985 2/20 0.38
PDE5A O76074 6/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2J2 P51589 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL5419500 0.86 PDE1A (0.44) PDE5APDE1APDE1BPDE1C
SCHEMBL5404652 0.84 RIPK3 (0.41) PDE5APDE1APDE1BPDE1C
SCHEMBL5398896 0.83 PCSK9 (0.43) ADORA2APDE1APDE1BPDE1C
SCHEMBL5400486 0.83 SLC16A1 (0.43) SLC16A1
SCHEMBL5395371 0.82 SLC16A1 (0.52) SLC16A1PDE5APDE1APDE1BPDE1C
SCHEMBL5399629 0.82 PDE1A (0.38) SLC16A1PDE5APDE1APDE1BPDE1C
SCHEMBL5419589 0.82 PDE1A (0.52) ADORA2APDE1APDE1BPDE1C
SCHEMBL5419638 0.82 PDE1A (0.39) SLC16A1PDE5APDE1APDE1BPDE1C
SCHEMBL5418116 0.81 SLC16A1 (0.46) SLC16A1
SCHEMBL6677611 0.80 PDE1A (0.36) SLC16A1PDE5APDE1APDE1BPDE1C

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 ADORA2A 1210/4885SLC16A1 4140/4885PDE5A 933/4885

“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.