SCHEMBL4511531

SCHEMBL4511531

O=Cc1cnn2ccnc2n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4511528 0.72 MAP4K4 (0.33) PDE10A
SCHEMBL4478891 0.72 ALDH1A1 (0.34) PDE10AALDH1A1
SCHEMBL6201153 0.71 PDE10A (0.36) PDE10AALDH1A1
SCHEMBL5769043 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12962760 0.67 PDE10A (0.31) PDE10A
SCHEMBL6202914 0.67 PDE10A (0.33) PDE10A
SCHEMBL23143322 0.64 DYRK1A (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL1605985 0.64 PDE10A (0.32) PDE10A
SCHEMBL6203248 0.64 KDM4E (0.32) PDE10AALDH1A1
SCHEMBL717559 0.64

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 PDE10A 3125/4885ALDH1A1 792/4885

“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.