SCHEMBL5400616

SCHEMBL5400616

Cn1c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc2n(CC(=O)O)c1=O

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.42
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.38
SLC16A1 P53985 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
HPGD P15428 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
SCHEMBL5410870 0.93 ALDH1A1 (0.39) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5404061 0.92 ALDH1A1 (0.39) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5393463 0.90 HPGD (0.44) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5404180 0.89 ALDH1A1 (0.45) CMA1ALDH1A1MAPTTSHRHTT
SCHEMBL5398362 0.89 ALDH1A1 (0.41) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5398294 0.88 ALDH1A1 (0.40) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5403569 0.88 SLC16A1 (0.40) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5418055 0.88 THRB (0.42) CMA1ALDH1A1MAPTTSHRHTT
SCHEMBL5404607 0.87 IDO1 (0.46) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5400099 0.87 MAPT (0.46) ALDH1A1MAPTTSHRHTTLMNA

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 CMA1 3176/4885ALDH1A1 903/4885MAPT 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.