SCHEMBL376453

SCHEMBL376453

Oc1ccc2ncn(-c3cncc(N[C@@H]4CCNC4)n3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.52
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 1/20 0.48
JAK3 P52333 3/20 0.40
JAK2 O60674 2/20 0.40
FYN P06241 2/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
BTK Q06187 2/20 0.40
STK16 O75716 1/20 0.40
SRC P12931 1/20 0.40
MAPK9 P45984 2/20 0.38
CLK2 P49760 2/20 0.38
DYRK1A Q13627 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38

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
SCHEMBL12583670 0.86 IRAK4 (0.70) IRAK4MKNK1MKNK2JAK3JAK2
SCHEMBL10238519 0.85 IRAK4 (0.66) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL12583626 0.84 IRAK4 (0.59) IRAK4MKNK1MKNK2JAK3JAK2
SCHEMBL12583634 0.83 IRAK4 (0.56) IRAK4MKNK1MKNK2JAK3JAK2
SCHEMBL376804 0.83 IRAK4 (0.58) IRAK4MKNK1MKNK2JAK3JAK2
SCHEMBL10239905 0.83 IRAK4 (0.51) IRAK4MKNK1MKNK2JAK3JAK2
SCHEMBL10238383 0.83 IRAK4 (0.50) IRAK4MKNK1MKNK2JAK3JAK2
SCHEMBL10239085 0.81 IRAK4 (0.62) IRAK4MKNK1MKNK2JAK3JAK2
SCHEMBL10239896 0.81 IRAK4 (0.50) IRAK4MKNK1MKNK2CLK2DYRK1A
SCHEMBL10239891 0.81 IRAK4 (0.51) IRAK4MKNK1MKNK2CLK2DYRK1A

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
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
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 816/4885MKNK1 65/4885MKNK2 52/4885

“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.