SCHEMBL1998139

SCHEMBL1998139

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.43
LDHA P00338 3/20 0.42
LDHB P07195 3/20 0.42
HTR7 P34969 2/20 0.42
JAK2 O60674 4/20 0.42
JAK3 P52333 4/20 0.42
JAK1 P23458 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.41
KIT P10721 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
CLK1 P49759 2/20 0.40

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 0.85 HTR7 (0.43) HTR7JAK2JAK3JAK1KIT
SCHEMBL1993891 0.85 JAK2 (0.54) HTR7JAK2JAK3JAK1KIT
SCHEMBL12613884 0.85 HTR7 (0.43) HTR7JAK2JAK3JAK1KIT
SCHEMBL1995030 0.83 EIF2AK4 (0.43) HTR7JAK2JAK3JAK1EIF2AK4
SCHEMBL1997445 0.83 EIF2AK4 (0.43) HTR7JAK2JAK3JAK1EIF2AK4
SCHEMBL2039268 0.82 NTRK1 (0.42) HTR7EIF2AK4KIT
SCHEMBL2038340 0.71 JAK2 (0.55) JAK2JAK3JAK1EIF2AK4
SCHEMBL2038337 0.71 JAK2 (0.55) JAK2JAK3JAK1EIF2AK4
SCHEMBL22085347 0.70 HCAR3 (0.69) LDHALDHB
SCHEMBL11558158 0.70 HCAR3 (0.69) LDHALDHB

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 12 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
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 CAMK2D 448/4885LDHA 3822/4885LDHB 3917/4885

“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.