SCHEMBL5407635

SCHEMBL5407635

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc(OCCO)c3)n(Cc3cccc(Cl)c3Cl)nc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.38
SLC16A1 P53985 7/20 0.38
MCTS1 Q9ULC4 5/20 0.38
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.34

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
SCHEMBL5400113 0.88 SLC16A1 (0.47) SLC16A1PDE1APDE1BPDE1CALDH1A1
SCHEMBL5415437 0.87 PDE1A (0.41) SLC16A3SLC16A1MCTS1PDE1APDE1B
SCHEMBL5402582 0.85 SLC16A1 (0.42) SLC16A1
SCHEMBL5407969 0.85 SLC22A12 (0.46) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5415120 0.84 PDE1A (0.37) SLC16A3SLC16A1MCTS1PDE1APDE1B
SCHEMBL5407655 0.83 SLC16A1 (0.37) SLC16A1PDE1APDE1BPDE1CALDH1A1
SCHEMBL5407470 0.82 PDE1A (0.42) SLC16A1PDE1APDE1BPDE1CMEN1
SCHEMBL5395878 0.81 HIF1A (0.43) SLC16A3SLC16A1MCTS1ALDH1A1MEN1
SCHEMBL5393985 0.80 PDE1A (0.40) PDE1APDE1BPDE1CALDH1A1
SCHEMBL5407653 0.79 TP53 (0.40) PDE1APDE1BPDE1CALDH1A1MEN1

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 SLC16A3 4350/4885SLC16A1 4140/4885MCTS1 3674/4885

“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.