SCHEMBL2322997

SCHEMBL2322997

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1cc2c(OC(C)=O)cccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
LCK P06239 4/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
TSHR P16473 2/20 0.35
HCK P08631 1/20 0.34
TLR4 O00206 1/20 0.33
GPX4 P36969 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2328721 0.94 KDM4E (0.49) KDM4EMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2323832 0.88 KDM4E (0.46) KDM4EMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14118131 0.84 KDM4E (0.42) KDM4EMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2326416 0.83 LCK (0.50) KDM4EMAPTLMNALCKHCK
SCHEMBL12442144 0.81 KDM4E (0.49) KDM4EMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2323540 0.79 KDM4E (0.45) KDM4EMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14118136 0.78 LIPG (0.32) TLR4
SCHEMBL2322886 0.76 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNALCK
SCHEMBL3528649 0.75 MEN1 (0.46) MAPTALDH1A1SMN1; SMN2BRD4BRPF1
SCHEMBL3535093 0.75 LCK (0.44) MAPTSMN1; SMN2LMNALCKTSHR

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 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
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
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
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US 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
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 KDM4E 329/4885MAPT 2491/4885ALDH1A1 2434/4885

“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.