SCHEMBL2033554

SCHEMBL2033554

O=C(O)N1CCCC(Nc2cc(N3CCOCC3)nc(-c3cnc4ccc(F)cn34)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
JAK3 P52333 3/20 0.41
EIF2AK4 Q9P2K8 9/20 0.40
ADORA2A P29274 3/20 0.39
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
FLT3 P36888 1/20 0.37
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2040086 0.91 ADORA2A (0.43) JAK2JAK1JAK3EIF2AK4ADORA2A
SCHEMBL2033578 0.90 FLT3 (0.46) JAK2JAK1JAK3FLT3
SCHEMBL2033576 0.90 FLT3 (0.46) JAK2JAK1JAK3FLT3
SCHEMBL15194229 0.89 EIF2AK4 (0.44) IRAK4JAK2JAK1JAK3EIF2AK4
SCHEMBL2034708 0.86 FLT3 (0.47) JAK2JAK1JAK3FLT3
SCHEMBL2036766 0.86 JAK2 (0.42) IRAK4JAK2JAK1JAK3ADORA2A
SCHEMBL2033799 0.86 FLT3 (0.44) JAK2JAK1JAK3EIF2AK4ADORA2A
SCHEMBL2033549 0.85 EIF2AK4 (0.39) JAK2JAK1JAK3EIF2AK4ADORA2A
SCHEMBL2051500 0.85 EIF2AK4 (0.42) EIF2AK4
SCHEMBL2036077 0.85 JAK2 (0.49) IRAK4JAK2JAK1JAK3EIF2AK4

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 3 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-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

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 IRAK4 12/4885JAK2 2/4885JAK1 1/4885

“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.