SCHEMBL2033691

SCHEMBL2033691

CC(Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)O)c1ccc(F)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.52
JAK2 O60674 11/20 0.52
JAK1 P23458 9/20 0.52
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NTRK1 P04629 2/20 0.35
ALK Q9UM73 1/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
MUSK O15146 1/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
FGFR3 P22607 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
PTK2B Q14289 1/20 0.35
ADORA2A P29274 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2037225 1.00 JAK3 (0.52) JAK3JAK2JAK1KDM4EALDH1A1
SCHEMBL2037020 0.92 JAK3 (0.51) JAK3JAK2JAK1ALDH1A1HPGD
SCHEMBL2037024 0.92 JAK3 (0.51) JAK3JAK2JAK1ALDH1A1HPGD
SCHEMBL12643799 0.88 JAK2 (0.48) JAK3JAK2JAK1KDM4EALDH1A1
SCHEMBL2035361 0.85 JAK3 (0.54) JAK3JAK2JAK1NTRK1ALK
SCHEMBL2035364 0.85 JAK3 (0.54) JAK3JAK2JAK1NTRK1ALK
SCHEMBL16494538 0.84 JAK3 (0.53) JAK3JAK2JAK1NTRK1MUSK
SCHEMBL1693860 0.84 JAK3 (0.53) JAK3JAK2JAK1NTRK1MUSK
SCHEMBL12067767 0.84 JAK3 (0.53) JAK3JAK2JAK1NTRK1MUSK
SCHEMBL13505122 0.83 JAK2 (0.55) JAK3JAK2JAK1KDM4EEIF2AK4

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
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 JAK3 3/4885JAK2 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.