SCHEMBL1994802

SCHEMBL1994802

N#Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4cnc5ccc(C#N)cn45)n3)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.47
▸ IRAK1 P51617 1/20 0.46
▸ FLT3 P36888 3/20 0.44
▸ CCNK O75909 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ EGLN2 Q96KS0 1/20 0.42
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ EIF2AK4 Q9P2K8 6/20 0.41
▸ JAK2 O60674 3/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ ADORA2A P29274 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
SCHEMBL12643906 1.00 IRAK4 (0.47) IRAK4IRAK1FLT3CCNKCDK12
SCHEMBL12614076 0.94 IRAK4 (0.45) IRAK4IRAK1FLT3CCNKCDK12
SCHEMBL13505191 0.90 IRAK4 (0.50) IRAK4IRAK1FLT3EGLN2EIF2AK4
SCHEMBL1992612 0.87 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK1
SCHEMBL1994106 0.87 IRAK4 (0.47) IRAK4IRAK1FLT3EGLN2EIF2AK4
SCHEMBL12643901 0.87 IRAK4 (0.47) IRAK4IRAK1FLT3EGLN2EIF2AK4
SCHEMBL12643905 0.87 IRAK4 (0.47) IRAK4IRAK1FLT3EGLN2EIF2AK4
SCHEMBL12643668 0.87 IRAK4 (0.47) IRAK4IRAK1FLT3EGLN2EIF2AK4
SCHEMBL1993495 0.87 IRAK4 (0.47) IRAK4IRAK1FLT3EGLN2EIF2AK4
SCHEMBL1992529 0.87 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK1

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-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
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
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.

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