SCHEMBL1993891

SCHEMBL1993891

C[C@H](Nc1ccnc(-c2cnc3ccc(F)cn23)n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.54
JAK3 P52333 6/20 0.54
JAK1 P23458 3/20 0.54
HTR7 P34969 7/20 0.49
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
ATP1A1 P05023 3/20 0.44
ATP1B1 P05026 3/20 0.44
ATP1A3 P13637 3/20 0.44
ATP1B2 P14415 3/20 0.44
ATP1A2 P50993 3/20 0.44
ATP1B3 P54709 3/20 0.44
FXYD2 P54710 3/20 0.44
ATP1A4 Q13733 3/20 0.44
HTR2C P28335 2/20 0.43
MAPK14 Q16539 3/20 0.43
KIT P10721 1/20 0.41

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
SCHEMBL12615022 0.87 HTR7 (0.43) JAK2JAK3JAK1HTR7ADRA1D
SCHEMBL12613884 0.87 HTR7 (0.43) JAK2JAK3JAK1HTR7ADRA1D
SCHEMBL1998139 0.85 CAMK2D (0.43) JAK2JAK3JAK1HTR7KIT
SCHEMBL2038337 0.85 JAK2 (0.55) JAK2JAK3JAK1MAPK14
SCHEMBL2038340 0.85 JAK2 (0.55) JAK2JAK3JAK1MAPK14
SCHEMBL1995030 0.85 EIF2AK4 (0.43) JAK2JAK3JAK1HTR7ADRA1D
SCHEMBL1997445 0.85 EIF2AK4 (0.43) JAK2JAK3JAK1HTR7ADRA1D
SCHEMBL1995476 0.82 JAK2 (0.48) JAK2JAK3JAK1HTR7ADRA1D
SCHEMBL16495137 0.81 JAK2 (0.55) JAK2JAK3JAK1HTR7ATP1A1
SCHEMBL14840802 0.81 JAK2 (0.55) JAK2JAK3JAK1HTR7ATP1A1

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 8 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-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
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
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 3/4885JAK1 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.