SCHEMBL2322889

SCHEMBL2322889

C[N+]12C=CN=CC1=C(C1CCN(C(=O)OCc3ccccc3)CC1)N=C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
GRIN2B Q13224 9/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
HTT P42858 1/20 0.44
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK3 P52333 2/20 0.42
CYP3A4 P08684 3/20 0.41
PDE4B Q07343 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL2321181 0.91 TMEM97 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2327301 0.90 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL593237 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2320389 0.82 MEN1 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2322567 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL593895 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14630463 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2323407 0.79 SIGMAR1 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL594302 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2323327 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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 SMN1; SMN2 1823/4885NPC1 3614/4885RAB9A 2024/4885

“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.