SCHEMBL1997864

SCHEMBL1997864

CC(=O)N1CCCCC1CNc1ccnc(-c2cnc3ccc(C#N)cn23)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
EIF2AK4 Q9P2K8 5/20 0.42
JAK2 O60674 9/20 0.41
JAK3 P52333 9/20 0.41
JAK1 P23458 5/20 0.41
IRAK4 Q9NWZ3 2/20 0.39
IRAK1 P51617 1/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL2037145 0.94 ADORA2A (0.44) ADORA2AEIF2AK4JAK2JAK3JAK1
SCHEMBL1991798 0.90 ADORA2A (0.44) ADORA2AEIF2AK4JAK2JAK3JAK1
SCHEMBL12616583 0.88 EIF2AK4 (0.40) EIF2AK4IRAK4KIT
SCHEMBL1993894 0.82 IRAK4 (0.46) EIF2AK4JAK2JAK3JAK1IRAK4
SCHEMBL1998010 0.79 IRAK4 (0.49) EIF2AK4JAK2JAK3JAK1IRAK4
SCHEMBL12643880 0.78 EIF2AK4 (0.47) EIF2AK4
SCHEMBL1997583 0.75 IRAK4 (0.60) EIF2AK4JAK2JAK3JAK1IRAK4
SCHEMBL1994795 0.75 EIF2AK4 (0.42) ADORA2AEIF2AK4JAK2JAK3JAK1
SCHEMBL1997370 0.75 EIF2AK4 (0.42) ADORA2AEIF2AK4JAK2JAK3JAK1
SCHEMBL1997645 0.74 EIF2AK4 (0.45) EIF2AK4JAK2JAK3JAK1IRAK4

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 11 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
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO 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 ADORA2A 3489/4885EIF2AK4 211/4885JAK2 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.