SCHEMBL2035797

SCHEMBL2035797

C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 7/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
JAK1 P23458 1/20 0.40
USP7 Q93009 1/20 0.40
GFER P55789 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL2033344 1.00 EIF2AK4 (0.42) EIF2AK4NPC1ALDH1A1HPGDTSHR
SCHEMBL2034169 1.00 EIF2AK4 (0.42) EIF2AK4NPC1ALDH1A1HPGDTSHR
SCHEMBL2040117 0.86 EIF2AK4 (0.47) EIF2AK4FLT3JAK2JAK3JAK1
SCHEMBL2040116 0.86 EIF2AK4 (0.47) EIF2AK4FLT3JAK2JAK3JAK1
SCHEMBL2042452 0.85 FLT3 (0.42) EIF2AK4FLT3JAK2JAK3JAK1
SCHEMBL2042449 0.85 FLT3 (0.42) EIF2AK4FLT3JAK2JAK3JAK1
SCHEMBL12611068 0.85 EIF2AK4 (0.45) EIF2AK4FLT3JAK2JAK3JAK1
SCHEMBL2036807 0.85 EIF2AK4 (0.47) EIF2AK4FLT3JAK2JAK3JAK1
SCHEMBL2038027 0.84 EIF2AK4 (0.46) EIF2AK4FLT3JAK2JAK3JAK1
SCHEMBL2002185 0.84 EIF2AK4 (0.47) EIF2AK4JAK2JAK3JAK1

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 5 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
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

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 211/4885NPC1 4082/4885ALDH1A1 1435/4885

“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.