SCHEMBL376803

SCHEMBL376803

COc1ncc(-c2cnc3ccccn23)nc1N[C@@H]1CCCNC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.66
FLT3 P36888 5/20 0.51
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
LCK P06239 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
BLK P51451 1/20 0.49
IRAK1 P51617 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
MAPK8 P45983 1/20 0.48
NRAS P01111 3/20 0.47
MNAT1 P51948 1/20 0.43
PIK3CA P42336 1/20 0.42

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
SCHEMBL10239859 0.94 IRAK4 (0.64) IRAK4FLT3CDK7CCNHLCK
SCHEMBL376793 0.88 IRAK4 (0.69) IRAK4FLT3CDK7CCNHLCK
SCHEMBL12553619 0.82 IRAK4 (0.68) IRAK4FLT3CDK7CCNHLCK
SCHEMBL376279 0.81 IRAK4 (0.79) IRAK4FLT3CDK7CCNHLCK
SCHEMBL384845 0.81 IRAK4 (0.79) IRAK4FLT3CDK7CCNHLCK
SCHEMBL3230923 0.80 GFER (0.45) IRAK4MAPK8
SCHEMBL12553187 0.80 IRAK4 (0.41) IRAK4FLT3MAPK8PIK3CA
SCHEMBL22145804 0.79 IRAK4 (1.00) IRAK4FLT3CDK7CCNHLCK
SCHEMBL376301 0.77 PIK3CD (0.42) IRAK4MAPK8PIK3CA
SCHEMBL10239882 0.76 IRAK4 (0.69) IRAK4FLT3CDK7CCNHLCK

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 496/4885CDK7 314/4885

“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.