SCHEMBL2324487

SCHEMBL2324487

CC(=O)N1CCN(C2CCC(c3ncc4c(C)nccn34)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.38
ACACB O00763 4/20 0.38
ACACA Q13085 4/20 0.38
IRAK1 P51617 3/20 0.38
PDE7A Q13946 3/20 0.38
CCNT1 O60563 2/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CLK1 P49759 2/20 0.38
CLK2 P49760 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
IRAK3 Q9Y616 2/20 0.37
HASPIN Q8TF76 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL2324481 1.00 IRAK4 (0.38) IRAK4ACACBACACAIRAK1PDE7A
SCHEMBL14118072 0.91 TLR9 (0.38) ACACBACACA
SCHEMBL2323944 0.85 PDE1C (0.36) PDE1CPDE1APDE1B
SCHEMBL2323948 0.85 PDE1C (0.36) PDE1CPDE1APDE1B
SCHEMBL2320576 0.81 PDE1B (0.41) IRAK4PDE1CPDE1APDE1B
SCHEMBL2320573 0.81 PDE1B (0.41) IRAK4PDE1CPDE1APDE1B
SCHEMBL2321173 0.81 GRIN2B (0.43)
SCHEMBL2321177 0.81 GRIN2B (0.43)
SCHEMBL2323459 0.80 ACACB (0.40) ACACBACACA
SCHEMBL2329084 0.80 BTK (0.40) IRAK4ACACBACACAIRAK1PDE7A

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 5 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 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 IRAK4 37/4885ACACB 4042/4885ACACA 3489/4885

“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.