SCHEMBL1693876

SCHEMBL1693876

C[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.53
JAK3 P52333 8/20 0.53
JAK1 P23458 7/20 0.53
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
PRKCQ Q04759 2/20 0.41
ATP1A1 P05023 2/20 0.39
ATP1B1 P05026 2/20 0.39
ATP1A3 P13637 2/20 0.39
ATP1B2 P14415 2/20 0.39
ATP1A2 P50993 2/20 0.39
ATP1B3 P54709 2/20 0.39
FXYD2 P54710 2/20 0.39
ATP1A4 Q13733 2/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL1694402 1.00 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1GAA
SCHEMBL1693878 1.00 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1GAA
SCHEMBL16503506 0.89 ALDH1A1 (0.41) JAK2JAK3JAK1ALDH1A1GAA
SCHEMBL12069143 0.88 JAK2 (0.45) JAK2JAK3JAK1
SCHEMBL14841268 0.88 JAK2 (0.45) JAK2JAK3JAK1
SCHEMBL1694180 0.88 JAK2 (0.50) JAK2JAK3JAK1ALDH1A1
SCHEMBL1694185 0.88 JAK2 (0.50) JAK2JAK3JAK1ALDH1A1
SCHEMBL1694348 0.87 JAK3 (0.51) JAK2JAK3JAK1
SCHEMBL1694345 0.87 JAK3 (0.51) JAK2JAK3JAK1
SCHEMBL1694366 0.87 JAK3 (0.51) JAK2JAK3JAK1

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 7 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
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US 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
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.