SCHEMBL5405554

SCHEMBL5405554

CC(=O)Nc1ccccc1-c1c2c(=O)n(C)c(=O)n(CC(C)C)c2nn1Cc1ccnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 4/20 0.47
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
SLC16A7 O60669 1/20 0.43

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
SCHEMBL5405558 0.88 SLC16A1 (0.47) SLC16A1CYP3A4CYP2C9SLC16A7
SCHEMBL5407647 0.84 PDE1A (0.39)
SCHEMBL5395864 0.84 SLC16A1 (0.47) SLC16A1
SCHEMBL5418116 0.82 SLC16A1 (0.46) SLC16A1
SCHEMBL5400061 0.81 SLC16A1 (0.43) SLC16A1CYP3A4CYP2C9
SCHEMBL5407500 0.81 SLC16A1 (0.45) SLC16A1
SCHEMBL5407560 0.81 SLC16A1 (0.45) SLC16A1
SCHEMBL5415088 0.80 SLC16A1 (0.46) SLC16A1
SCHEMBL5398859 0.80 SLC16A1 (0.45) SLC16A1CYP3A4CYP2C9SLC16A7
SCHEMBL5403810 0.79 SLC16A1 (0.45) SLC16A1CYP3A4CYP2C9SLC16A7

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 4140/4885CYP3A4 129/4885CYP2C9 82/4885

“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.