SCHEMBL5404242

SCHEMBL5404242

COc1ccc2ccccc2c1Cn1nc2c(c1-c1ccc(NC(C)=O)cc1)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.46
TSHR P16473 4/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
NPBWR1 P48145 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
PDE5A O76074 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC16A1 P53985 1/20 0.38

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
SCHEMBL5398885 0.89 NPBWR1 (0.45) MAPTNPBWR1PDE5AKMT2ACYP3A4
SCHEMBL5405288 0.86 SLC16A1 (0.47) TSHRMAPTTP53PDE5AKMT2A
SCHEMBL5404511 0.84 NPBWR1 (0.40) XIAPTSHRMAPTNPBWR1PDE5A
SCHEMBL5395967 0.81 NPBWR1 (0.41) MAPTNPBWR1PDE5AKMT2ACYP3A4
SCHEMBL5405558 0.81 SLC16A1 (0.47) MAPTTP53CYP3A4CYP2C9SLC16A1
SCHEMBL5407983 0.80 NPBWR1 (0.42) XIAPMAPTNPBWR1PDE5AKMT2A
SCHEMBL5400652 0.80 MAPT (0.48) MAPTTP53SLC16A1
SCHEMBL5405716 0.80 TP53 (0.44) TSHRMAPTTP53SLC16A1
SCHEMBL6656130 0.79 PDE5A (0.41) TSHRMAPTNPBWR1PDE5ACYP3A4
SCHEMBL5403865 0.79 PDE5A (0.45) NPBWR1PDE5A

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 XIAP 2167/4885TSHR 3317/4885MAPT 4180/4885

“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.