SCHEMBL5413437

SCHEMBL5413437

CCCSc1c2c(=O)n(C)c(=O)n(CC(C)C)c2nn1Cc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 4/20 0.56
CYP2C9 P11712 2/20 0.47
MAPKAPK2 P49137 1/20 0.47
CAMK2B Q13554 1/20 0.47
HIPK4 Q8NE63 1/20 0.47
PDE5A O76074 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5403281 0.91 SLC16A1 (0.70) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5402703 0.89 SLC16A1 (0.54) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5405605 0.89 SLC16A1 (0.51) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5403895 0.88 SLC16A1 (0.58) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL6993946 0.88 SLC16A1 (0.54) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5413401 0.86 SLC16A1 (0.56) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5400640 0.81 SLC16A1 (0.54) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5400115 0.79 SLC16A1 (0.52) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5407932 0.79 SLC16A1 (0.52) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5395371 0.79 SLC16A1 (0.52) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975636-B1 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONES AS T-CELL PROLIFERATION INHIBITORS ASTRAZENECA AB (SE) 2003-07-23 EP claimed
EP-0975636-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-02-02 EP claimed
WO-1998046606-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-22 WO claimed
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-0975636-B1 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONES AS T-CELL PROLIFERATION INHIBITORS ASTRAZENECA AB (SE) 2003-07-23 EP disclosed
US-6028074-A FOR TREATING ALLOGRAFT REJECTION ASTRA PHARMACEUTICALS, LTD. (GB) 2000-02-22 US disclosed
EP-0975636-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-02-02 EP disclosed
WO-1998046606-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-22 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 SLC16A1 4140/4885CYP2C9 82/4885MAPKAPK2 1817/4885

“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.