SCHEMBL5404511

SCHEMBL5404511

COc1ccc2ccccc2c1Cn1nc2c(c1-c1cccc(C(=O)O)c1)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
XIAP P98170 4/20 0.39
EIF4EBP1 Q13541 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
SLC16A1 P53985 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
PDE5A O76074 1/20 0.39
DPP4 P27487 2/20 0.38
SMN1; SMN2 Q16637 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 0.91 NPBWR1 (0.45) NPBWR1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL5395967 0.87 NPBWR1 (0.41) NPBWR1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL5407645 0.87 SLC16A1 (0.47) MEN1KMT2ACYP3A4CYP2C9SLC16A1
SCHEMBL5404242 0.84 XIAP (0.46) NPBWR1KMT2AXIAPCYP3A4CYP2C9
SCHEMBL5411108 0.82 SLC16A1 (0.45) NPBWR1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL5398859 0.81 SLC16A1 (0.45) CYP3A4CYP2C9SLC16A1
SCHEMBL6656130 0.81 PDE5A (0.41) NPBWR1CYP3A4MAPTLMNATSHR
SCHEMBL5395919 0.80 SLC16A1 (0.40) MEN1KMT2AEIF4EBP1CYP2C9SLC16A1
SCHEMBL5407983 0.80 NPBWR1 (0.42) NPBWR1MEN1KMT2AXIAPSLC16A1
SCHEMBL5407705 0.80 DPP4 (0.40) MEN1KMT2AEIF4EBP1SLC16A1MAPT

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 NPBWR1 3728/4885MEN1 4216/4885KMT2A 3837/4885

“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.