SCHEMBL5403516

SCHEMBL5403516

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 3/20 0.47
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CYP2C9 P11712 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
CAMK2B Q13554 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
PDE5A O76074 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CFTR P13569 2/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STAT1 P42224 1/20 0.38

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
SCHEMBL5417911 0.93 SLC16A1 (0.48) SLC16A1CNR2CNR1ACHECYP2C9
SCHEMBL5400640 0.89 SLC16A1 (0.54) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5408224 0.87 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5407668 0.87 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5411174 0.87 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5393436 0.86 NPBWR1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5403237 0.86 SLC16A1 (0.48) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5393962 0.85 SLC16A1 (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5393963 0.85 SLC16A1 (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5399953 0.85 SLC16A1 (0.47) 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 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 SLC16A1 4140/4885CNR2 4241/4885CNR1 3681/4885

“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.