SCHEMBL376678

SCHEMBL376678

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnc4ccccn34)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.45
GFER P55789 1/20 0.44
USP30 Q70CQ3 4/20 0.43
MAPK8 P45983 3/20 0.43
MAPK9 P45984 3/20 0.43
MAPK10 P53779 2/20 0.43
JUN P05412 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.42
PARP1 P09874 1/20 0.41
METTL3 Q86U44 1/20 0.40
HPGDS O60760 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL376256 1.00 IRAK4 (0.45) IRAK4GFERUSP30MAPK8MAPK9
SCHEMBL376257 1.00 IRAK4 (0.45) IRAK4GFERUSP30MAPK8MAPK9
SCHEMBL10239065 0.95 MAPK8 (0.48) IRAK4USP30MAPK8MAPK9MAPK10
SCHEMBL12552842 0.89 SYK (0.39) USP30PARP1HDAC4HDAC6
SCHEMBL426804 0.88 FLT3 (0.44) USP30FLT3HDAC4HDAC6
SCHEMBL426805 0.88 FLT3 (0.44) USP30FLT3HDAC4HDAC6
SCHEMBL376070 0.88 USP30 (0.43) GFERUSP30PARP1METTL3HDAC4
SCHEMBL376423 0.87 FLT3 (0.53) IRAK4FLT3
SCHEMBL376422 0.87 FLT3 (0.53) IRAK4FLT3
SCHEMBL376791 0.87 PIM1 (0.46) IRAK4GFERUSP30MAPK8MAPK9

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 IRAK4 816/4885GFER 4841/4885USP30 3137/4885

“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.