SCHEMBL4110450

SCHEMBL4110450

O=S(=O)(c1cccc(F)c1)N1C[C](n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.50
JAK1 P23458 16/20 0.50
JAK3 P52333 9/20 0.47
BMX P51813 1/20 0.47
TYK2 P29597 3/20 0.43
CIT O14578 1/20 0.43
GAK O14976 1/20 0.43
ROCK2 O75116 1/20 0.43
ULK1 O75385 1/20 0.43
PRKCB P05771 1/20 0.43
RET P07949 1/20 0.43
PRKCA P17252 1/20 0.43
PRKACA P17612 1/20 0.43
MARK3 P27448 1/20 0.43
STAT3 P40763 1/20 0.43
CLK1 P49759 1/20 0.43
CSNK1G2 P78368 1/20 0.43
PRKCD Q05655 1/20 0.43
MAP3K1 Q13233 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL4113370 0.90 IKBKB (0.47) JAK2JAK1JAK3TYK2CIT
SCHEMBL4125306 0.86 JAK1 (0.47) JAK2JAK1JAK3TYK2CIT
SCHEMBL4103454 0.84 JAK2 (0.48) JAK2JAK1JAK3TYK2CIT
SCHEMBL4110454 0.84 JAK2 (0.53) JAK2JAK1JAK3BMXTYK2
SCHEMBL4115201 0.81 JAK2 (0.45) JAK2JAK1JAK3TYK2CIT
SCHEMBL3378527 0.81 JAK1 (0.60) JAK2JAK1JAK3TYK2CIT
SCHEMBL872400 0.79 JAK1 (0.72) JAK2JAK1JAK3TYK2CIT
SCHEMBL3376608 0.79 JAK2 (0.49) JAK2JAK1JAK3TYK2CIT
SCHEMBL1499140 0.79 JAK2 (0.48) JAK2JAK1JAK3BMXTYK2
SCHEMBL3378554 0.78 JAK2 (0.45) JAK2JAK1JAK3TYK2CIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO claimed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 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-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS 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.