SCHEMBL375353

SCHEMBL375353

C[C@@H]1NCCC[C@H]1Nc1cncc(-c2cnc3ccccn23)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.55
FLT3 P36888 1/20 0.48
MAPK8 P45983 3/20 0.48
MAPK10 P53779 1/20 0.46
MAPK9 P45984 2/20 0.43
DYRK1A Q13627 1/20 0.43
CCNT1 O60563 1/20 0.41
CCNK O75909 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK12 Q9NYV4 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
SCHEMBL10239839 1.00 IRAK4 (0.55) IRAK4FLT3MAPK8MAPK10MAPK9
SCHEMBL10239079 1.00 IRAK4 (0.55) IRAK4FLT3MAPK8MAPK10MAPK9
SCHEMBL10239495 1.00 IRAK4 (0.55) IRAK4FLT3MAPK8MAPK10MAPK9
SCHEMBL10239849 0.86 IRAK4 (0.40) IRAK4FLT3MAPK8MAPK10MAPK9
SCHEMBL10238517 0.86 IRAK4 (0.40) IRAK4FLT3MAPK8MAPK10MAPK9
SCHEMBL10239501 0.86 IRAK4 (0.40) IRAK4FLT3MAPK8MAPK10MAPK9
SCHEMBL13494284 0.85 FLT3 (0.39) IRAK4FLT3CCNT1CCNKCCNE1
SCHEMBL10239836 0.85 FLT3 (0.50) IRAK4FLT3CCNT1CCNKCCNE1
SCHEMBL10239477 0.85 FLT3 (0.50) IRAK4FLT3CCNT1CCNKCCNE1
SCHEMBL10239869 0.84 IRAK4 (0.59) IRAK4FLT3MAPK8MAPK10MAPK9

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 816/4885FLT3 496/4885MAPK8 274/4885

“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.