SCHEMBL2323807

SCHEMBL2323807

CN(C)C(=O)CN1CCC(C2=C3C=NC=C[N+]3(C)C(Br)=N2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.35
CCNT1 O60563 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 8/20 0.34
CASP7 P55210 8/20 0.34
TLR9 Q9NR96 5/20 0.33
TLR8 Q9NR97 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 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
SCHEMBL2323701 0.96 CDK9 (0.38) CDK9CCNT1CASP3CASP7TLR9
Trifluoroacetic Acid SCHEMBL14121894 0.90 CDK9 (0.35) CDK9CCNT1CASP3CASP7TLR9
SCHEMBL2321033 0.83 MAPK11 (0.34) TLR9TLR8TLR7CYP2D6
SCHEMBL2325011 0.80 MAPK11 (0.35) TLR9TLR8TLR7
Methyl Alcohol SCHEMBL14121774 0.80 MAPK11 (0.35) TLR9TLR8TLR7
SCHEMBL2322567 0.71 SMN1; SMN2 (0.47) MEN1KMT2ACYP2D6
SCHEMBL2326517 0.70 HTR4 (0.32) CDK9CCNT1TLR9TLR8TLR7
SCHEMBL2327795 0.69 HTR2A (0.32)
SCHEMBL2323449 0.68 CDK9 (0.39) CDK9CCNT1CASP3CASP7TLR9
SCHEMBL4357543 0.61 TLR9 (0.35) TLR9TLR8TLR7

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 CDK9 317/4885CCNT1 2379/4885MEN1 4691/4885

“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.