SCHEMBL5407840

SCHEMBL5407840

CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3cc(C(=O)O)ccc3Br)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
SLC16A1 P53985 1/20 0.40
DPP4 P27487 2/20 0.38
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1C Q14123 4/20 0.38
B3GNT2 Q9NY97 1/20 0.37
PDE5A O76074 3/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE2A O00408 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FOLH1 Q04609 1/20 0.36
HPD P32754 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CFTR P13569 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 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
SCHEMBL5419584 0.76 SLC16A1 (0.67) KMT2ASLC16A1PDE1APDE1BPDE1C
SCHEMBL11181039 0.73 PDE1A (0.47) KMT2ASLC16A1PDE1APDE1BPDE1C
SCHEMBL3084224 0.73 PDE1A (0.52) KMT2ASLC16A1PDE1APDE1BPDE1C
Butanone SCHEMBL3661929 0.72 PDE1A (0.46) KMT2ASLC16A1PDE1APDE1BPDE1C
SCHEMBL5411368 0.71 PDE1A (0.47) SLC16A1PDE1APDE1BPDE1CPDE5A
SCHEMBL7000713 0.71 MAPT (0.47) KMT2APDE1APDE1BPDE1CPDE5A
SCHEMBL11184207 0.69 PDE1A (0.45) KMT2ASLC16A1PDE1APDE1BPDE1C
Isobutyraldehyde SCHEMBL3661931 0.69 PDE1A (0.48) KMT2ASLC16A1PDE1APDE1BPDE1C
SCHEMBL5407645 0.67 SLC16A1 (0.47) KDM4EKMT2ASLC16A1DPP4PDE1A
SCHEMBL5398859 0.66 SLC16A1 (0.45) SLC16A1CYP3A4

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 KDM4E 3332/4885KMT2A 3837/4885SLC16A1 4140/4885

“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.