Sugi Predict

Sugi Predict / Compounds / SCHEMBL1694366

SCHEMBL1694366

SCHEMBL1694366

C[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccc(F)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.51
▸ JAK2 O60674 15/20 0.51
▸ JAK1 P23458 10/20 0.51
▸ NTRK1 P04629 3/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ MUSK O15146 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ RET P07949 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ ALK Q9UM73 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ GRK6 P43250 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
SCHEMBL1694345 1.00 JAK3 (0.51) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL1694348 1.00 JAK3 (0.51) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL12069143 0.90 JAK2 (0.45) JAK3JAK2JAK1PIK3CDPIK3R1
SCHEMBL14841268 0.90 JAK2 (0.45) JAK3JAK2JAK1PIK3CDPIK3R1
SCHEMBL1694185 0.90 JAK2 (0.50) JAK3JAK2JAK1NTRK1RET
SCHEMBL1694180 0.90 JAK2 (0.50) JAK3JAK2JAK1NTRK1RET
SCHEMBL1693878 0.87 JAK2 (0.53) JAK3JAK2JAK1
SCHEMBL1693876 0.87 JAK2 (0.53) JAK3JAK2JAK1
SCHEMBL1694402 0.87 JAK2 (0.53) JAK3JAK2JAK1
SCHEMBL1694428 0.87 JAK2 (0.45) JAK3JAK2JAK1FLT3

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 8 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
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 JAK3 3/4885JAK2 1/4885JAK1 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.