SCHEMBL5405288

SCHEMBL5405288

CC(=O)Nc1ccc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2cccc3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 4/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 2/20 0.42
MAPKAPK2 P49137 1/20 0.42
CAMK2B Q13554 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
PDE5A O76074 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
DPP4 P27487 1/20 0.39
CYP3A4 P08684 1/20 0.39
FDPS P14324 1/20 0.38
GPR18 Q14330 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5405558 0.90 SLC16A1 (0.47) SLC16A1TP53MAPTCYP2C9PDE1A
SCHEMBL5398894 0.88 SLC16A1 (0.49) SLC16A1TP53MAPTCYP2C9MAPKAPK2
SCHEMBL5399735 0.88 SLC16A1 (0.51) SLC16A1TP53MAPTCYP2C9MAPKAPK2
SCHEMBL5400640 0.88 SLC16A1 (0.54) SLC16A1TP53MAPTCYP2C9MAPKAPK2
SCHEMBL5400652 0.87 MAPT (0.48) SLC16A1TP53MAPTPDE1APDE1B
SCHEMBL5407653 0.87 TP53 (0.40) TP53MAPTMEN1KMT2APDE1A
SCHEMBL5405716 0.87 TP53 (0.44) SLC16A1TP53MAPTPDE1APDE1B
SCHEMBL5405616 0.87 SLC16A1 (0.51) SLC16A1TP53MAPTCYP2C9MAPKAPK2
SCHEMBL5404242 0.86 XIAP (0.46) SLC16A1TP53MAPTCYP2C9PDE5A
SCHEMBL6659477 0.86 TP53 (0.41) TP53MAPTPDE5APDE1APDE1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1573000-B1 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2008-05-07 EP 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-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 SLC16A1 4140/4885TP53 1580/4885MAPT 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.