SCHEMBL2324337

SCHEMBL2324337

CCC[C@H](C)OC(=O)Nc1ccc(C2=NC([C@@H]3CCN(C(=O)CN(C)C)C3)=C3C=NC=C[N+]23C)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 13/20 0.36
TLR8 Q9NR97 13/20 0.36
TLR7 Q9NYK1 13/20 0.36
ABL1 P00519 3/20 0.31
FYN P06241 3/20 0.31
SRC P12931 3/20 0.31
BMPR1B O00238 2/20 0.31
PLK4 O00444 2/20 0.31
STK25 O00506 2/20 0.31
RIOK3 O14730 2/20 0.31
CHEK1 O14757 2/20 0.31
GAK O14976 2/20 0.31
DCLK1 O15075 2/20 0.31
MUSK O15146 2/20 0.31
EPHB6 O15197 2/20 0.31
PDPK1 O15530 2/20 0.31
MAP3K13 O43283 2/20 0.31
DAPK3 O43293 2/20 0.31
MAP3K7 O43318 2/20 0.31
NUAK1 O60285 2/20 0.31

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
SCHEMBL2325192 0.97 TLR9 (0.38) TLR9TLR8TLR7ABL1FYN
SCHEMBL2323235 0.93 TLR9 (0.32) TLR9TLR8TLR7PDE4B
SCHEMBL2324317 0.89 TLR9 (0.31) TLR9TLR8TLR7TP53
SCHEMBL2323449 0.87 CDK9 (0.39) TLR9TLR8TLR7GSK3B
SCHEMBL15482407 0.85 HTT (0.32) MEN1ALDH1A1KMT2A
SCHEMBL2324198 0.83 HTT (0.33) ABL1EGFRLCKKDRMEN1
SCHEMBL2326997 0.83 SRC (0.37) TLR9TLR8TLR7ABL1FYN
SCHEMBL2325503 0.83 SRC (0.37) TLR9TLR8TLR7ABL1FYN
SCHEMBL2324968 0.82 SRC (0.38) TLR9TLR8TLR7ABL1FYN
SCHEMBL2326487 0.82 SRC (0.38) TLR9TLR8TLR7ABL1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534151-B1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MERCK SHARP & DOHME (NL) 2018-11-14 EP claimed
US-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US claimed
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP claimed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US claimed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 WO claimed
EP-2534151-B1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MERCK SHARP & DOHME (NL) 2018-11-14 EP disclosed
US-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US disclosed
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 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-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN TLR9 719/4885TLR8 374/4885TLR7 654/4885

“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.