SCHEMBL376272

SCHEMBL376272

c1ccc2c(c1)ncn2-c1cncc(N[C@@H]2CCCNC2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.58
MKNK1 Q9BUB5 8/20 0.58
MKNK2 Q9HBH9 7/20 0.58
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
MAPK10 P53779 2/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL12584014 1.00 IRAK4 (0.58) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL10238519 0.94 IRAK4 (0.66) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL14514057 0.87 IRAK4 (0.58) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL10239085 0.84 IRAK4 (0.62) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL10239851 0.84 IRAK4 (0.62) IRAK4MKNK1MKNK2
SCHEMBL10239086 0.83 IRAK4 (0.52) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL10238538 0.83 IRAK4 (0.44) IRAK4MKNK1MKNK2AURKAAURKB
SCHEMBL10239114 0.83 IRAK4 (0.45) IRAK4MKNK1MKNK2
SCHEMBL10239520 0.83 IRAK4 (0.45) IRAK4MKNK1MKNK2
SCHEMBL10238390 0.83 IRAK4 (0.44) IRAK4MKNK1MKNK2MAPK10MAPK9

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 4 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

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.