SCHEMBL4900475

SCHEMBL4900475

Cc1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ncc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.56
ADK P55263 1/20 0.50
TSHR P16473 1/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
GSK3B P49841 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4874032 0.87 GRK6 (0.52) GRK6ADKTSHRCA1CA2
SCHEMBL4901149 0.81 ADK (0.56) GRK6ADKTSHRCA1CA2
SCHEMBL4875694 0.80 GRK6 (0.59) GRK6ADKTSHRCA1CA2
SCHEMBL12870524 0.74 ADK (0.64) GRK6ADKTSHRCA1CA2
SCHEMBL4866861 0.74 ADK (0.64) GRK6ADKTSHRCA1CA2
SCHEMBL4874835 0.72 GRK6 (0.61) GRK6ADKTSHRCA1CA2
SCHEMBL4873338 0.72 ADK (0.57) GRK6ADKTSHRCA1CA2
SCHEMBL16171111 0.72 GRK6 (1.00) GRK6ADKTSHRCA1CA2
SCHEMBL4875695 0.71 GRK6 (0.57) GRK6ADKTSHRCA1CA2
SCHEMBL4870544 0.71 ADK (0.53) GRK6ADKTSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. 2008-04-17 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-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 GRK6 3642/4885ADK 198/4885TSHR 4328/4885

“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.