SCHEMBL1993495

SCHEMBL1993495

CCC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.47
IRAK1 P51617 1/20 0.46
FLT3 P36888 2/20 0.45
EIF2AK4 Q9P2K8 5/20 0.43
EGLN2 Q96KS0 1/20 0.42
JAK2 O60674 8/20 0.42
JAK3 P52333 8/20 0.42
JAK1 P23458 5/20 0.41
CYP3A4 P08684 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ADORA2A P29274 1/20 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
SCHEMBL12643901 1.00 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL12643905 0.92 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1992612 0.92 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL12643668 0.92 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1992529 0.92 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1997054 0.92 IRAK4 (0.46) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1994909 0.92 IRAK4 (0.46) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL12616700 0.92 IRAK4 (0.46) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL15198123 0.92 IRAK4 (0.46) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL15198122 0.91 JAK2 (0.45) IRAK4IRAK1FLT3EIF2AK4EGLN2

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-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-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 IRAK4 12/4885IRAK1 15/4885FLT3 21/4885

“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.