SCHEMBL19273775

SCHEMBL19273775

BC1(B)C(B)(B)C(B)(B)C(B)([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C1(B)B

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.62
JAK1 P23458 16/20 0.62
JAK3 P52333 12/20 0.62
TYK2 P29597 5/20 0.62
RET P07949 3/20 0.62
ROCK1 Q13464 3/20 0.62
DAPK3 O43293 2/20 0.62
PAK4 O96013 2/20 0.62
ABL1 P00519 2/20 0.62
LTK P29376 2/20 0.62
CSNK1A1 P48729 2/20 0.62
CLK2 P49760 2/20 0.62
TNK2 Q07912 2/20 0.62
DYRK1A Q13627 2/20 0.62
IKBKE Q14164 2/20 0.62
NTRK3 Q16288 2/20 0.62
NTRK2 Q16620 2/20 0.62
LRRK2 Q5S007 2/20 0.62
TAOK1 Q7L7X3 2/20 0.62
CAMK1D Q8IU85 2/20 0.62

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
SCHEMBL103169 0.84 JAK2 (0.65) JAK2JAK1JAK3TYK2RET
SCHEMBL99685 0.83 JAK2 (0.81) JAK2JAK1JAK3TYK2RET
SCHEMBL29541270 0.83 JAK2 (0.81) JAK2JAK1JAK3TYK2RET
SCHEMBL19273727 0.83 JAK2 (0.70) JAK2JAK1JAK3TYK2RET
SCHEMBL99551 0.83 JAK2 (0.65) JAK2JAK1JAK3TYK2RET
SCHEMBL1611818 0.83 JAK2 (0.65) JAK2JAK1JAK3TYK2RET
SCHEMBL101901 0.82 JAK2 (0.64) JAK2JAK1JAK3TYK2RET
SCHEMBL103295 0.81 JAK2 (0.71) JAK2JAK1JAK3TYK2RET
SCHEMBL19928552 0.81 JAK2 (0.68) JAK2JAK1JAK3TYK2RET
SCHEMBL2381207 0.81 JAK2 (0.71) JAK2JAK1JAK3TYK2RET

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-20170239254-A1 DEUTERATED DERIVATIVES OF RUXOLITINIB CONCERT PHARMACEUTICALS INC (US) 2017-08-24 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-20170239254-A1 DEUTERATED DERIVATIVES OF RUXOLITINIB JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 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.