SCHEMBL376373

SCHEMBL376373

COc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCNC2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.47
CHEK1 O14757 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NRAS P01111 2/20 0.37
EHMT2 Q96KQ7 5/20 0.36
FLT3 P36888 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35

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
SCHEMBL10239900 0.94 IRAK4 (0.52) IRAK4CHEK1MKNK1MKNK2NRAS
SCHEMBL376540 0.93 IRAK4 (0.47) IRAK4CHEK1MKNK1MKNK2NRAS
SCHEMBL10238536 0.91 IRAK4 (0.41) IRAK4CHEK1MKNK1MKNK2EHMT2
SCHEMBL10238538 0.88 IRAK4 (0.44) IRAK4CHEK1MKNK1MKNK2PDGFRB
SCHEMBL10239085 0.87 IRAK4 (0.62) IRAK4CHEK1MKNK1MKNK2NRAS
SCHEMBL10239520 0.86 IRAK4 (0.45) IRAK4MKNK1MKNK2FLT3PDGFRB
SCHEMBL10239518 0.85 IRAK4 (0.47) IRAK4CHEK1MKNK1MKNK2NRAS
SCHEMBL10239851 0.85 IRAK4 (0.62) IRAK4CHEK1MKNK1MKNK2NRAS
SCHEMBL10238540 0.85 IRAK4 (0.40) IRAK4MKNK1MKNK2
SCHEMBL376672 0.84 IRAK4 (0.41) IRAK4MKNK1MKNK2EHMT2

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
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 IRAK4 816/4885CHEK1 56/4885MKNK1 65/4885

“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.