SCHEMBL16464884

SCHEMBL16464884

COC(=O)c1cccc(-c2ccnc(NC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.61
TGFBR1 P36897 1/20 0.49
AAK1 Q2M2I8 11/20 0.44
DAPK1 P53355 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
BMP2K Q9NSY1 3/20 0.44
MKNK1 Q9BUB5 3/20 0.44
MYLK2 Q9H1R3 3/20 0.44
GAK O14976 3/20 0.44
DAPK3 O43293 2/20 0.44
JAK2 O60674 2/20 0.44
HIPK4 Q8NE63 2/20 0.44
CIT O14578 2/20 0.44
MAP2K1 Q02750 1/20 0.44
PKN2 Q16513 1/20 0.44
TLK2 Q86UE8 1/20 0.44
STK39 Q9UEW8 1/20 0.44
TLK1 Q9UKI8 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL20377802 0.85 PIK3C3 (0.49) IRAK4TGFBR1CNR2PIK3C3
SCHEMBL16898714 0.84 IRAK4 (0.45) IRAK4ATRGSK3BDYRK1ACYP3A4
SCHEMBL1857045 0.79 ALDH1A1 (0.48) ATRDYRK1ACYP3A4
SCHEMBL2080592 0.79 IRAK4 (0.43) IRAK4TGFBR1AAK1DAPK1MKNK2
SCHEMBL31268286 0.79 IRAK4 (0.43) IRAK4TGFBR1AAK1DAPK1MKNK2
SCHEMBL24150715 0.78 PLAU (0.43) IRAK4CNR2
SCHEMBL5548970 0.78 ATR (0.48) IRAK4AAK1ATRPIK3C3GSK3B
SCHEMBL5251219 0.77 EGFR (0.57) IRAK4TGFBR1AAK1PIK3C3GSK3B
SCHEMBL16482170 0.77 IRAK4 (1.00) IRAK4KCNH2
SCHEMBL16116222 0.76 PIK3C3 (0.45) IRAK4TGFBR1AAK1ATRPIK3C3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903613-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2017-11-22 EP disclosed
EP-2903613-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2017-11-22 EP disclosed
US-9586948-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586948-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150274708-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
US-20150274708-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
EP-2903613-A1 INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2015-08-12 EP disclosed
WO-2014058691-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-04-17 WO disclosed
WO-2014058691-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-04-17 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-20150274708-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 IRAK4 1/4885TGFBR1 561/4885AAK1 627/4885

“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.