SCHEMBL1998436

SCHEMBL1998436

CC(C)(O)CC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.45
JAK3 P52333 5/20 0.45
IRAK4 Q9NWZ3 3/20 0.45
JAK1 P23458 3/20 0.45
IRAK1 P51617 1/20 0.44
EIF2AK4 Q9P2K8 9/20 0.43
FLT3 P36888 2/20 0.42
EGLN2 Q96KS0 1/20 0.40

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
SCHEMBL15198122 1.00 JAK2 (0.45) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL1997054 0.95 IRAK4 (0.46) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL15198123 0.95 IRAK4 (0.46) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL1996523 0.92 IRAK4 (0.46) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL12643901 0.91 IRAK4 (0.47) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL1993495 0.91 IRAK4 (0.47) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL12614637 0.89 EIF2AK4 (0.45) IRAK4EIF2AK4FLT3
SCHEMBL12643905 0.89 IRAK4 (0.47) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL1992612 0.89 FLT3 (0.53) JAK2JAK3IRAK4JAK1IRAK1
SCHEMBL12643668 0.89 IRAK4 (0.47) JAK2JAK3IRAK4JAK1IRAK1

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 6 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 claimed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP claimed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO claimed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP claimed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885IRAK4 12/4885

“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.