SCHEMBL12876325

SCHEMBL12876325

CNC(=O)c1cnc2[nH]ccc2c1NC1C2C[C@@]3(O)CC2C[C@@H]1C3

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.62
▸ JAK2 O60674 16/20 0.62
▸ JAK3 P52333 14/20 0.62
▸ TYK2 P29597 12/20 0.62
▸ FLT1 P17948 1/20 0.47

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
SCHEMBL16199901 0.89 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL12875990 0.89 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL16199878 0.89 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL12876521 0.89 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL12888159 0.89 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL24723930 0.88 JAK2 (0.80) JAK1JAK2JAK3TYK2
SCHEMBL12876107 0.85 JAK3 (0.60) JAK1JAK2JAK3TYK2
SCHEMBL12876038 0.84 JAK2 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL12876286 0.83 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL12876022 0.81 JAK1 (0.56) JAK1JAK2JAK3TYK2

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.

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