SCHEMBL17449172

SCHEMBL17449172

CC(C)(C)OC(=O)N[C@@H](CCCO[Si](C)(C)C(C)(C)C)c1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 7/20 0.35
TSHR P16473 6/20 0.35
LMNA P02545 6/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 5/20 0.34
PKM P14618 3/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 3/20 0.34
XBP1 P17861 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
CTSB P07858 1/20 0.33
CTSL P07711 1/20 0.33
PTPRB P23467 1/20 0.33

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
SCHEMBL17440700 0.89 IRAK4 (0.35) ALDH1A1HPGDIRAK4
SCHEMBL2768666 0.87 MAPT (0.39) MAPTALDH1A1TSHRLMNAKMT2A
SCHEMBL12342046 0.85 MAPT (0.40) MAPTALDH1A1TSHRLMNAKMT2A
SCHEMBL12342019 0.82 IRAK4 (0.38) MAPTALDH1A1TSHRLMNAKMT2A
SCHEMBL17449453 0.78 IRAK4 (0.38) MAPTALDH1A1TSHRLMNAKMT2A
SCHEMBL17440633 0.77 IRAK4 (0.33) IRAK4
SCHEMBL17440632 0.77 IRAK4 (0.33) IRAK4
SCHEMBL17449452 0.76 ALDH1A1 (0.37) MAPTALDH1A1TSHRLMNAKMT2A
SCHEMBL2768221 0.76 MAPT (0.40) MAPTALDH1A1TSHRLMNAKMT2A
SCHEMBL2768734 0.76 MEN1 (0.37) MAPTALDH1A1TSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 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-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 MAPT 2152/4885ALDH1A1 3021/4885TSHR 3317/4885

“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.