SCHEMBL2035068

SCHEMBL2035068

O=C(O)N1CCCC(Nc2cc(OCCN3CCCC3)nc(-c3cnc4ccc(F)cn34)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.42
JAK1 P23458 7/20 0.42
JAK3 P52333 7/20 0.42
ADORA2A P29274 8/20 0.39
EGFR P00533 1/20 0.38
ITK Q08881 1/20 0.38
FLT3 P36888 1/20 0.36
EIF2AK4 Q9P2K8 2/20 0.35

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
SCHEMBL2036912 0.94 EGFR (0.44) JAK2JAK1JAK3EGFRITK
SCHEMBL2035314 0.90 JAK2 (0.52) JAK2JAK1JAK3ADORA2AEGFR
SCHEMBL15193801 0.90 JAK2 (0.41) JAK2JAK1JAK3ADORA2AEIF2AK4
SCHEMBL15193802 0.90 JAK2 (0.41) JAK2JAK1JAK3ADORA2AEIF2AK4
SCHEMBL2037884 0.90 JAK3 (0.54) JAK2JAK1JAK3FLT3
SCHEMBL2037885 0.90 JAK3 (0.54) JAK2JAK1JAK3FLT3
SCHEMBL2039977 0.88 JAK2 (0.47) JAK2JAK1JAK3ADORA2AEGFR
SCHEMBL2037062 0.85 JAK3 (0.52) JAK2JAK1JAK3EGFRITK
SCHEMBL2037065 0.85 JAK3 (0.52) JAK2JAK1JAK3EGFRITK
SCHEMBL2034346 0.85 EGFR (0.42) JAK2JAK1JAK3EGFRITK

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 JAK2 2/4885JAK1 1/4885JAK3 3/4885

“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.