SCHEMBL4511528

SCHEMBL4511528

O=Cc1cnc2nccn2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.33
PRKACA P17612 1/20 0.33
CDK8 P49336 1/20 0.33
MAPK14 Q16539 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1A Q13627 1/20 0.33
KCNJ1 P48048 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL4511531 0.72 PDE10A (0.33) PDE10A
SCHEMBL23176291 0.69 PDE10A (0.33) DYRK1APDE10A
SCHEMBL18040898 0.65 GABRA1 (0.35) PDE10A
SCHEMBL25481477 0.65 PDE10A (0.31) PDE10A
SCHEMBL1825784 0.63 KCNJ1 (0.48) KCNJ1
SCHEMBL5769043 0.61 ALDH1A1 (0.38) DYRK1A
Iodide SCHEMBL28714110 0.61 KCNJ1 (0.47) KCNJ1
SCHEMBL21815833 0.60 APOBEC3A (0.53) MAP4K4PRKACACDK8MAPK14LRRK2
SCHEMBL7975635 0.60
SCHEMBL717559 0.60

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-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT MAP4K4 2207/4885PRKACA 1967/4885CDK8 1450/4885

“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.