SCHEMBL376757

SCHEMBL376757

CC1(COc2ccc3c(c2)ncn3-c2cncc(N[C@@H]3CCCNC3)n2)COC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.48
FLT3 P36888 5/20 0.48
CDK9 P50750 2/20 0.48
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
ULK1 O75385 1/20 0.48
STK10 O94804 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
LATS1 O95835 1/20 0.48
PAK4 O96013 1/20 0.48
NTRK1 P04629 1/20 0.48
LCK P06239 1/20 0.48
CDK1 P06493 1/20 0.48
APRT P07741 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
PHKG2 P15735 1/20 0.48
NQO2 P16083 1/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL376430 0.88 IRAK4 (0.48) IRAK4FLT3CDK9GAKRIPK2
SCHEMBL10239841 0.87 IRAK4 (0.53) IRAK4CDK9CDK2MKNK1MKNK2
SCHEMBL10239851 0.86 IRAK4 (0.62) IRAK4FLT3MKNK1MKNK2
SCHEMBL10239102 0.85 FLT3 (0.48) IRAK4FLT3CDK9GAKRIPK2
SCHEMBL12553599 0.84 IRAK4 (0.53) IRAK4FLT3MKNK1MKNK2
SCHEMBL10239517 0.82 IRAK4 (0.48) IRAK4CDK9CDK2MKNK1MKNK2
SCHEMBL12583728 0.82 IRAK4 (0.59) IRAK4FLT3MKNK1MKNK2
SCHEMBL12584133 0.81 IRAK4 (0.70) IRAK4FLT3MKNK1MKNK2
SCHEMBL10238365 0.81 IRAK4 (0.53) IRAK4CDK9PRKD3MAP4K4PAK4
SCHEMBL376026 0.80 IRAK4 (0.45) IRAK4FLT3CDK9GAKRIPK2

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 496/4885CDK9 367/4885

“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.