SCHEMBL376804

SCHEMBL376804

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.58
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 1/20 0.46
JAK3 P52333 3/20 0.41
CDK9 P50750 3/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
JAK2 O60674 2/20 0.41
FYN P06241 2/20 0.41
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
BTK Q06187 2/20 0.41
FGFR1 P11362 2/20 0.41
CLK2 P49760 2/20 0.41
DYRK1A Q13627 2/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41

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
SCHEMBL10239086 0.95 IRAK4 (0.52) IRAK4MKNK1MKNK2JAK3CDK9
SCHEMBL12584152 0.94 IRAK4 (0.59) IRAK4MKNK1MKNK2JAK3CDK9
SCHEMBL12583670 0.91 IRAK4 (0.70) IRAK4MKNK1MKNK2JAK3CDK9
SCHEMBL12553599 0.89 IRAK4 (0.53) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL12583626 0.88 IRAK4 (0.59) IRAK4MKNK1MKNK2JAK3CDK9
SCHEMBL12583634 0.86 IRAK4 (0.56) IRAK4MKNK1MKNK2JAK3CDK9
SCHEMBL10239085 0.85 IRAK4 (0.62) IRAK4MKNK1MKNK2JAK3CDK9
SCHEMBL12584133 0.85 IRAK4 (0.70) IRAK4MKNK1MKNK2FGFR1CHEK1
SCHEMBL10238365 0.83 IRAK4 (0.53) IRAK4MKNK1MKNK2JAK3CDK9
SCHEMBL376453 0.83 IRAK4 (0.52) IRAK4MKNK1MKNK2JAK3CDK9

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
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US 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.