SCHEMBL12876366

SCHEMBL12876366

C=Cc1cnc2[nH]ccc2c1N[C@H]1C2CC3CC1C[C@@](O)(C3)C2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.68
JAK2 O60674 13/20 0.68
JAK3 P52333 13/20 0.68
TYK2 P29597 6/20 0.68
HSD11B1 P28845 3/20 0.36
TYRO3 Q06418 1/20 0.35

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
SCHEMBL1154788 0.89 JAK1 (0.71) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL1154946 0.89 JAK1 (0.71) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12888887 0.87 JAK1 (0.66) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12876848 0.87 JAK1 (0.68) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL27726580 0.87 JAK1 (0.70) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12888823 0.85 JAK1 (0.72) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL4440769 0.85 JAK1 (0.68) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL4440765 0.85 JAK1 (0.68) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL4440771 0.85 JAK1 (0.68) JAK1JAK2JAK3TYK2HSD11B1
SCHEMBL12888915 0.85 JAK3 (0.62) JAK1JAK2JAK3TYK2HSD11B1

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-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 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-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, JAK2 JAK1 2/4885JAK2 3/4885JAK3 1/4885

“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.