SCHEMBL25837862

SCHEMBL25837862

C/N=C/C[C@H](C1CCCC1)n1cc(-c2ncnc(N)c2C(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.44
JAK1 P23458 16/20 0.44
JAK3 P52333 14/20 0.44
TYK2 P29597 10/20 0.44
ABL1 P00519 3/20 0.44
DAPK3 O43293 2/20 0.44
PAK4 O96013 2/20 0.44
RET P07949 2/20 0.44
LTK P29376 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CLK2 P49760 2/20 0.44
TNK2 Q07912 2/20 0.44
ROCK1 Q13464 2/20 0.44
DYRK1A Q13627 2/20 0.44
IKBKE Q14164 2/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
LRRK2 Q5S007 2/20 0.44
TAOK1 Q7L7X3 2/20 0.44
CAMK1D Q8IU85 2/20 0.44

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
SCHEMBL25837846 0.83 JAK2 (0.61) JAK2JAK1JAK3TYK2ABL1
SCHEMBL25035761 0.69 JAK2 (0.68) JAK2JAK1JAK3TYK2ABL1
Trifluoroacetic Acid SCHEMBL99846 0.68 JAK2 (0.62) JAK2JAK1JAK3TYK2ABL1
Trifluoroacetic Acid SCHEMBL101077 0.68 JAK2 (0.62) JAK2JAK1JAK3TYK2ABL1
SCHEMBL19098145 0.68 JAK2 (0.72) JAK2JAK1JAK3TYK2ABL1
SCHEMBL20548737 0.68 JAK2 (0.72) JAK2JAK1JAK3TYK2ABL1
SCHEMBL30480817 0.68 JAK2 (0.72) JAK2JAK1JAK3TYK2ABL1
SCHEMBL102212 0.67 JAK2 (0.70) JAK2JAK1JAK3TYK2ABL1
SCHEMBL103519 0.67 JAK2 (0.73) JAK2JAK1JAK3TYK2ABL1
SCHEMBL3007396 0.66 JAK1 (0.44) JAK2JAK1JAK3TYK2ABL1

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-20230226064-A1 ORAL LIQUID FORMULATIONS OF RUXOLITINIB NOVARTIS PHARMACEUTICALS CORPORATION 2023-07-20 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-20230226064-A1 ORAL LIQUID FORMULATIONS OF RUXOLITINIB JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885

“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.