SCHEMBL376672

SCHEMBL376672

CCOc1cc2ncn(-c3cncc(N[C@@H]4CCCNC4)n3)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.41
EHMT2 Q96KQ7 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPKAPK2 P49137 3/20 0.36
CHEK2 O96017 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNT1 O60563 2/20 0.34

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
SCHEMBL10238536 0.93 IRAK4 (0.41) IRAK4EHMT2PIM1PIM3PIM2
SCHEMBL376540 0.91 IRAK4 (0.47) IRAK4EHMT2MKNK1MKNK2
SCHEMBL10239841 0.89 IRAK4 (0.53) IRAK4EHMT2PIM1PIM3PIM2
SCHEMBL10239518 0.87 IRAK4 (0.47) IRAK4PIM1PIM3PIM2MKNK1
SCHEMBL10238365 0.87 IRAK4 (0.53) IRAK4EHMT2PIM1PIM3PIM2
SCHEMBL10238390 0.86 IRAK4 (0.44) IRAK4PIM1PIM3PIM2MKNK1
SCHEMBL12553731 0.84 IRAK4 (0.40) IRAK4PIM1MKNK1MKNK2CDK9
SCHEMBL10239114 0.84 IRAK4 (0.45) IRAK4MKNK1MKNK2CDK2CDK9
SCHEMBL376373 0.84 IRAK4 (0.47) IRAK4EHMT2MKNK1MKNK2
SCHEMBL12583728 0.83 IRAK4 (0.59) IRAK4MKNK1MKNK2CHEK2

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
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
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 816/4885EHMT2 2808/4885PIM1 358/4885

“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.