SCHEMBL1995030

SCHEMBL1995030

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 3/20 0.43
FLT3 P36888 1/20 0.43
HTR7 P34969 3/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
IRAK1 P51617 1/20 0.42
JAK2 O60674 6/20 0.40
JAK3 P52333 6/20 0.40
PLK1 P53350 1/20 0.40
KIT P10721 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
JAK1 P23458 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39

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
SCHEMBL1997445 1.00 EIF2AK4 (0.43) EIF2AK4FLT3HTR7IRAK4IRAK1
SCHEMBL12613884 0.85 HTR7 (0.43) HTR7JAK2JAK3KITJAK1
SCHEMBL1993891 0.85 JAK2 (0.54) HTR7JAK2JAK3KITJAK1
SCHEMBL12615022 0.85 HTR7 (0.43) HTR7JAK2JAK3KITJAK1
SCHEMBL2039268 0.83 NTRK1 (0.42) EIF2AK4HTR7PLK1KIT
SCHEMBL1996364 0.83 FLT3 (0.48) FLT3IRAK4IRAK1JAK2JAK3
SCHEMBL1998139 0.83 CAMK2D (0.43) EIF2AK4HTR7JAK2JAK3KIT
SCHEMBL1994326 0.81 JAK2 (0.50) EIF2AK4FLT3IRAK4IRAK1JAK2
SCHEMBL2000446 0.80 KIT (0.60) EIF2AK4FLT3IRAK4IRAK1JAK2
SCHEMBL1993309 0.77 KIT (0.47) EIF2AK4FLT3IRAK4IRAK1JAK2

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 EIF2AK4 211/4885FLT3 21/4885HTR7 3830/4885

“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.