SCHEMBL376458

SCHEMBL376458

CCOc1cc2ncn(-c3cncc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4OC)n3)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 2/20 0.34
PRKDC P78527 2/20 0.34
MTOR P42345 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
USP30 Q70CQ3 1/20 0.33
RET P07949 1/20 0.33
BACE1 P56817 1/20 0.33
DYRK1A Q13627 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL376963 0.84 PIK3CD (0.35) GPR119PIK3CDPIK3CAPRKDCUSP30
SCHEMBL376431 0.80 PIK3CD (0.44) GPR119PIK3CDPIK3CAPRKDCMTOR
SCHEMBL12553731 0.79 IRAK4 (0.40) JAK2JAK3RETDYRK1ATBK1
SCHEMBL10239068 0.74 USP30 (0.38) GPR119PIK3CDJAK2JAK3USP30
SCHEMBL12583730 0.74 JAK3 (0.33) JAK3MAPK1
SCHEMBL376401 0.74 PIK3CD (0.46) GPR119PIK3CDPIK3CAJAK2JAK3
SCHEMBL376742 0.73 IRAK4 (0.49) PIK3CDPIK3CAPRKDCMTORJAK2
SCHEMBL376486 0.72 PIK3CD (0.44) GPR119PIK3CDPIK3CAJAK2JAK3
SCHEMBL376653 0.70 PIK3CD (0.42) PIK3CDPIK3CAJAK2JAK3USP30
SCHEMBL1964021 0.70 LCK (0.47) USP30

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB GPR119 1384/4885PIK3CD 394/4885PIK3CA 393/4885

“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.