SCHEMBL376077

SCHEMBL376077

COC(=O)c1ccn2c(-c3cncc(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.41
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
PADI4 Q9UM07 4/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FLT3 P36888 1/20 0.38
BTK Q06187 1/20 0.38
PIK3CD O00329 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
PARP1 P09874 1/20 0.37
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL376264 0.92 BTK (0.42) USP30FGFR3KDRPADI4HDAC4
SCHEMBL25997411 0.91 FLT3 (0.47) USP30FGFR3KDRPADI4FLT3
SCHEMBL426805 0.89 FLT3 (0.44) USP30FGFR3KDRHDAC4HDAC6
SCHEMBL426804 0.89 FLT3 (0.44) USP30FGFR3KDRHDAC4HDAC6
SCHEMBL24975700 0.87 FLT3 (0.41) USP30FGFR3KDRHDAC4HDAC6
SCHEMBL376256 0.86 IRAK4 (0.45) USP30HDAC4HDAC6FLT3PARP1
SCHEMBL376257 0.86 IRAK4 (0.45) USP30HDAC4HDAC6FLT3PARP1
SCHEMBL376678 0.86 IRAK4 (0.45) USP30HDAC4HDAC6FLT3PARP1
SCHEMBL24231649 0.86 FLT3 (0.48) USP30FLT3PIK3CD
SCHEMBL12552842 0.86 SYK (0.39) USP30FGFR3KDRPADI4HDAC4

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 6 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
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 USP30 3137/4885FGFR3 2087/4885KDR 821/4885

“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.