SCHEMBL5398457

SCHEMBL5398457

COc1ccc(Oc2cccc(Cn3nc4c(c3-c3cccc(C(=O)O)c3)c(=O)n(C)c(=O)n4CC(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR3 P49019 1/20 0.41
PTGER4 P35408 3/20 0.40
PPARG P37231 2/20 0.40
P2RX3 P56373 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
MMP13 P45452 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL5409792 0.88 HIF1A (0.45) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5395878 0.88 HIF1A (0.43) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5411099 0.86 HIF1A (0.43) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6630358 0.86 MEN1 (0.44) MEN1KMT2ASMN1; SMN2PDE1APDE1B
SCHEMBL5400118 0.85 MTNR1B (0.43) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5411122 0.83 HIF1A (0.44) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5407727 0.82 PDE1A (0.45) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5395315 0.81 HIF1A (0.44) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5403125 0.81 MAPK10 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL5400132 0.81 MAPK8 (0.44) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2

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 HIF1A 1678/4885MEN1 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.