SCHEMBL2326629

SCHEMBL2326629

CC(=O)N1CCC(N2CCN(C3=C4C=NC=C[N+]4(C)C(Br)=N3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.32
ACACA Q13085 9/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL3 Q96JM7 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ACVR1 Q04771 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
PDE7A Q13946 1/20 0.30
L3MBTL4 Q8NA19 1/20 0.30
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
IRAK3 Q9Y616 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
Methyl Alcohol SCHEMBL14121895 0.99 ACACB (0.32) ACACBACACAKDM4ECYP2C9CYP2C19
SCHEMBL2325120 0.89 CASP6 (0.33) KDM4ECYP2C9ALDH1A1
Methyl Alcohol SCHEMBL14121313 0.88 NPC1 (0.33) KDM4EALDH1A1
SCHEMBL2321502 0.81 HRH3 (0.32) L3MBTL3L3MBTL1
SCHEMBL2323464 0.80 ACACB (0.34) ACACBACACAKDM4ECYP2C9CYP2C19
SCHEMBL2320338 0.69 KDM1A (0.30)
SCHEMBL2327722 0.67 BRD4 (0.33) CYP2C19ALDH1A1
Methyl Alcohol SCHEMBL14121774 0.67 MAPK11 (0.35)
SCHEMBL2321309 0.67 CASP6 (0.35) KDM4ECYP2C9ALDH1A1
SCHEMBL2321033 0.67 MAPK11 (0.34) CYP2C9CYP2C19L3MBTL1ALDH1A1HTT

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 ACACB 4042/4885ACACA 3489/4885KDM4E 329/4885

“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.