SCHEMBL5400637

SCHEMBL5400637

Cn1c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc2n(Cc2ccccn2)c1=O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 5/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
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
SCHEMBL5403950 0.90 ALDH1A1 (0.39) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5398362 0.89 ALDH1A1 (0.41) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5393463 0.88 HPGD (0.44) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5404607 0.87 IDO1 (0.46) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5404180 0.87 ALDH1A1 (0.45) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5408067 0.87 SLC16A1 (0.41) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5400099 0.87 MAPT (0.46) ALDH1A1MAPTKDM4ETSHRHTT
SCHEMBL5398294 0.86 ALDH1A1 (0.40) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5411292 0.86 DPP4 (0.46) ALDH1A1MAPTTSHRHTTLMNA
SCHEMBL5395371 0.86 SLC16A1 (0.52) 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 ALDH1A1 903/4885MAPT 4180/4885KDM4E 3332/4885

“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.