SCHEMBL2326487

SCHEMBL2326487

CCC[C@H](C)OC(=O)Nc1ccc(C2=NC(C3CCC(N4CCN(C)CC4)C3)=C3C=NC=C[N+]23C)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.38
LCK P06239 11/20 0.38
TEK Q02763 10/20 0.38
KDR P35968 4/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
FYN P06241 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
TLR8 Q9NR97 1/20 0.32
ABL1 P00519 3/20 0.32
PTK6 Q13882 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
SCHEMBL2324968 1.00 SRC (0.38) SRCLCKTEKKDRLIMK1
SCHEMBL2326997 0.96 SRC (0.37) SRCLCKTEKKDRLIMK1
SCHEMBL2325503 0.96 SRC (0.37) SRCLCKTEKKDRLIMK1
SCHEMBL15482407 0.84 HTT (0.32)
SCHEMBL2324317 0.83 TLR9 (0.31) TLR9TLR7TLR8
SCHEMBL2325192 0.83 TLR9 (0.38) SRCLCKKDRFYNTLR9
SCHEMBL2323235 0.83 TLR9 (0.32) TLR9TLR7TLR8
SCHEMBL2323449 0.83 CDK9 (0.39) TLR9TLR7TLR8
SCHEMBL2324337 0.82 TLR9 (0.36) SRCLCKKDRFYNTLR9
SCHEMBL2330530 0.81 LCK (0.35) SRCLCKTEKKDRLIMK1

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 SRC 5/4885LCK 1/4885TEK 1028/4885

“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.