SCHEMBL5404381

SCHEMBL5404381

CCCn1c(=O)n(C)c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 7/20 0.41
ADORA2B P29275 4/20 0.41
ADORA2A P29274 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.39
SLC16A1 P53985 1/20 0.39
CMA1 P23946 1/20 0.39
EIF4EBP1 Q13541 1/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PPARG P37231 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
SCHEMBL5399553 0.94 MEN1 (0.41) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5398394 0.92 MEN1 (0.52) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5399551 0.91 SLC16A1 (0.43) MEN1KMT2AALDH1A1ADORA2BADORA2A
SCHEMBL5411110 0.91 MEN1 (0.47) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5395755 0.91 TSHR (0.46) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5410843 0.90 ADORA2B (0.48) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5400336 0.90 MEN1 (0.40) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5407553 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5407645 0.90 SLC16A1 (0.47) MEN1KMT2AALDH1A1ADORA2BLMNA
SCHEMBL5410867 0.90 NPC1 (0.46) MEN1KMT2AADORA2BLMNATSHR

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 MEN1 4216/4885KMT2A 3837/4885ALDH1A1 903/4885

“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.