SCHEMBL1694185

SCHEMBL1694185

CC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.50
JAK3 P52333 15/20 0.50
JAK1 P23458 12/20 0.50
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
FLT3 P36888 2/20 0.32
AURKA O14965 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
RET P07949 1/20 0.32
FGR P09769 1/20 0.32
FGFR1 P11362 1/20 0.32
CSNK2A2 P19784 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
LIMK1 P53667 1/20 0.32
SIK1 P57059 1/20 0.32
PRKCZ Q05513 1/20 0.32

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
SCHEMBL1694180 1.00 JAK2 (0.50) JAK2JAK3JAK1PIK3CDPIK3R1
SCHEMBL1694366 0.90 JAK3 (0.51) JAK2JAK3JAK1PIK3CDPIK3R1
SCHEMBL1694345 0.90 JAK3 (0.51) JAK2JAK3JAK1PIK3CDPIK3R1
SCHEMBL1694348 0.90 JAK3 (0.51) JAK2JAK3JAK1PIK3CDPIK3R1
SCHEMBL1694402 0.88 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1
SCHEMBL1693878 0.88 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1
SCHEMBL1693876 0.88 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1
SCHEMBL1694428 0.87 JAK2 (0.45) JAK2JAK3JAK1FLT3ALDH1A1
SCHEMBL1694424 0.87 JAK2 (0.45) JAK2JAK3JAK1FLT3ALDH1A1
SCHEMBL12069143 0.85 JAK2 (0.45) JAK2JAK3JAK1PIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP 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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.