SCHEMBL376686

SCHEMBL376686

c1cn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.59
FLT3 P36888 11/20 0.52
IRAK1 P51617 3/20 0.52
LCK P06239 2/20 0.52
RET P07949 2/20 0.52
PDGFRB P09619 2/20 0.52
CDK7 P50613 2/20 0.52
CCNH P51946 2/20 0.52
BLK P51451 1/20 0.52
SRPK1 Q96SB4 1/20 0.52
NRAS P01111 6/20 0.44
MAPK8 P45983 1/20 0.41
PRKCZ Q05513 1/20 0.41
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CDC42BPB Q9Y5S2 2/20 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
SCHEMBL24574118 0.88 IRAK4 (0.78) IRAK4FLT3IRAK1LCKRET
SCHEMBL27370282 0.88 IRAK4 (0.78) IRAK4FLT3IRAK1LCKRET
SCHEMBL376279 0.86 IRAK4 (0.79) IRAK4FLT3IRAK1LCKRET
SCHEMBL384845 0.86 IRAK4 (0.79) IRAK4FLT3IRAK1LCKRET
SCHEMBL10239883 0.84 IRAK4 (0.58) IRAK4FLT3IRAK1LCKRET
SCHEMBL10239847 0.84 IRAK4 (0.58) IRAK4FLT3IRAK1LCKRET
SCHEMBL376342 0.84 FLT3 (0.63) IRAK4FLT3IRAK1LCKRET
SCHEMBL376310 0.84 FLT3 (0.63) IRAK4FLT3IRAK1LCKRET
SCHEMBL10239502 0.83 FLT3 (0.57) IRAK4FLT3IRAK1LCKRET
SCHEMBL376866 0.82 IRAK4 (0.59) IRAK4FLT3IRAK1LCKRET

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 9 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
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO 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 496/4885IRAK1 421/4885

“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.