SCHEMBL21467544

SCHEMBL21467544

CC(O)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(O)C(=O)C1O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VRK1 Q99986 17/20 0.65
RPS6KA3 P51812 5/20 0.65
VRK2 Q86Y07 2/20 0.65
JAK2 O60674 1/20 0.65
BRD4 O60885 1/20 0.65
CSNK1A1 P48729 1/20 0.65
RPS6KA2 Q15349 1/20 0.65
RPS6KA1 Q15418 1/20 0.65
RPS6KA6 Q9UK32 1/20 0.65

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
SCHEMBL13881333 0.79 VRK1 (1.00) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL30013787 0.79 VRK1 (1.00) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL28395290 0.73 VRK1 (0.69) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL23252198 0.70 VRK1 (0.65) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17780349 0.69 VRK1 (0.68) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL23828194 0.69 RPS6KA6 (0.60) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL23828196 0.69 RPS6KA6 (0.60) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL17257955 0.68 VRK1 (0.76) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL28680815 0.64 RPS6KA3 (0.70) VRK1RPS6KA3VRK2JAK2BRD4
SCHEMBL25015531 0.62 RPS6KA3 (1.00) VRK1RPS6KA3VRK2JAK2BRD4

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-20190314374-A1 CALMODULIN INHIBITORS, CHK2 INHIBITORS AND RSK INHIBITORS FOR THE TREATMENT OF RIBOSOMAL DISORDERS AND RIBOSOMAPATHIES THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-10-17 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-20190314374-A1 CALMODULIN INHIBITORS, CHK2 INHIBITORS AND RSK INHIBITORS FOR THE TREATMENT OF RIBOSOMAL DISORDERS AND RIBOSOMAPATHIES RPS6KA1, RPS6KA2, RPS6KA6 VRK1 405/4885RPS6KA3 4/4885VRK2 263/4885

“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.