SCHEMBL10239085

SCHEMBL10239085

COc1ccc2ncn(-c3cncc(N[C@@H]4CCCNC4)n3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.62
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CHEK1 O14757 3/20 0.39
AURKA O14965 2/20 0.39
PRKD3 O94806 2/20 0.39
PRKCQ Q04759 2/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
CCNA2 P20248 1/20 0.39
PRKCH P24723 1/20 0.39
CDK2 P24941 1/20 0.39

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 0.94 IRAK4 (0.70) IRAK4MKNK1MKNK2ALDH1A1HPGD
SCHEMBL10239851 0.93 IRAK4 (0.62) IRAK4MKNK1MKNK2ALDH1A1CHEK1
SCHEMBL10238365 0.92 IRAK4 (0.53) IRAK4MKNK1MKNK2CHEK1AURKA
SCHEMBL10239086 0.91 IRAK4 (0.52) IRAK4MKNK1MKNK2CHEK1AURKA
SCHEMBL376373 0.87 IRAK4 (0.47) IRAK4MKNK1MKNK2CHEK1NRAS
SCHEMBL12584133 0.87 IRAK4 (0.70) IRAK4MKNK1MKNK2CHEK1NRAS
SCHEMBL12583626 0.86 IRAK4 (0.59) IRAK4MKNK1MKNK2CHEK1AURKA
SCHEMBL376804 0.85 IRAK4 (0.58) IRAK4MKNK1MKNK2CHEK1AURKA
SCHEMBL376540 0.85 IRAK4 (0.47) IRAK4MKNK1MKNK2CHEK1NRAS
SCHEMBL10239841 0.85 IRAK4 (0.53) IRAK4MKNK1MKNK2CDK2CDK9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.