SCHEMBL12876314

SCHEMBL12876314

O[C@]12CC3C[C@H](C1)[C@H](Nc1ccnc4[nH]ccc14)C3C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.46
▸ JAK1 P23458 10/20 0.46
▸ TYK2 P29597 6/20 0.46
▸ JAK3 P52333 6/20 0.46
▸ ROCK1 Q13464 4/20 0.37
▸ ROCK2 O75116 4/20 0.37
▸ PRKCI P41743 3/20 0.37
▸ PRKD3 O94806 2/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ PRKCQ Q04759 2/20 0.37
▸ PRKCD Q05655 2/20 0.37
▸ PKN2 Q16513 2/20 0.37
▸ PRKD2 Q9BZL6 2/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37

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
SCHEMBL1154015 0.86 JAK2 (0.60) JAK2JAK1TYK2JAK3ROCK1
SCHEMBL1154013 0.86 JAK2 (0.60) JAK2JAK1TYK2JAK3ROCK1
SCHEMBL12888143 0.86 JAK2 (0.60) JAK2JAK1TYK2JAK3ROCK1
SCHEMBL1154014 0.86 JAK2 (0.60) JAK2JAK1TYK2JAK3ROCK1
SCHEMBL24723930 0.76 JAK2 (0.80) JAK2JAK1TYK2JAK3
SCHEMBL12876325 0.74 JAK1 (0.62) JAK2JAK1TYK2JAK3
SCHEMBL12876038 0.72 JAK2 (0.65) JAK2JAK1TYK2JAK3
SCHEMBL12876107 0.72 JAK3 (0.60) JAK2JAK1TYK2JAK3
SCHEMBL12875971 0.71 JAK2 (0.51) JAK2JAK1TYK2JAK3
SCHEMBL12876286 0.70 JAK1 (0.57) JAK2JAK1TYK2JAK3

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 JAK2 3/4885JAK1 2/4885TYK2 27/4885

“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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