SCHEMBL1694428

SCHEMBL1694428

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.45
▸ JAK3 P52333 11/20 0.45
▸ JAK1 P23458 10/20 0.45
▸ FLT3 P36888 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ PRKCQ Q04759 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL1694424 1.00 JAK2 (0.45) JAK2JAK3JAK1FLT3ALDH1A1
SCHEMBL1694180 0.87 JAK2 (0.50) JAK2JAK3JAK1FLT3ALDH1A1
SCHEMBL1694185 0.87 JAK2 (0.50) JAK2JAK3JAK1FLT3ALDH1A1
SCHEMBL1694366 0.87 JAK3 (0.51) JAK2JAK3JAK1FLT3
SCHEMBL1693878 0.87 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1PRKCQ
SCHEMBL1694345 0.87 JAK3 (0.51) JAK2JAK3JAK1FLT3
SCHEMBL1693876 0.87 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1PRKCQ
SCHEMBL1694402 0.87 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1PRKCQ
SCHEMBL1694348 0.87 JAK3 (0.51) JAK2JAK3JAK1FLT3
SCHEMBL1694580 0.86 JAK2 (0.42) JAK2JAK3JAK1EIF2AK4HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 — — US disclosed
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 (2 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885JAK1 1/4885
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.

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