SCHEMBL5399997

SCHEMBL5399997

Cn1c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc2n(CCCC2CCCC2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
DPP4 P27487 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL5407569 0.91 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5404241 0.90 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5407744 0.88 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5399553 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL5404381 0.88 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL5398394 0.87 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5402577 0.86 CTSD (0.47) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL5399551 0.85 SLC16A1 (0.43) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL5395755 0.85 TSHR (0.46) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL5410843 0.85 ADORA2B (0.48) MEN1KMT2AALDH1A1TSHRUSP2

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 2 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

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 ACP1 3774/4885MEN1 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.