SCHEMBL376150

SCHEMBL376150

C[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3ccc(C(C)(C)O)cn23)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 16/20 0.42
IRAK4 Q9NWZ3 8/20 0.41
NRAS P01111 4/20 0.41
IRAK1 P51617 3/20 0.37
LCK P06239 2/20 0.36
RET P07949 2/20 0.36
PDGFRB P09619 2/20 0.36
CDK7 P50613 2/20 0.36
BLK P51451 2/20 0.36
CCNH P51946 2/20 0.36
SRPK1 Q96SB4 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36

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
SCHEMBL376151 1.00 FLT3 (0.42) FLT3IRAK4NRASIRAK1LCK
SCHEMBL24975947 0.90 FLT3 (0.41) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL31557794 0.90 FLT3 (0.41) FLT3IRAK4NRASIRAK1EIF2AK4
SCHEMBL31557811 0.85 IRAK4 (0.42) FLT3IRAK4NRASIRAK1LCK
SCHEMBL24976243 0.85 IRAK4 (0.42) FLT3IRAK4NRASIRAK1LCK
SCHEMBL10238521 0.84 FLT3 (0.59) FLT3IRAK4NRASIRAK1LCK
SCHEMBL10239082 0.84 FLT3 (0.45) FLT3IRAK4NRASIRAK1LCK
SCHEMBL15203452 0.83 FLT3 (0.39) FLT3IRAK4EIF2AK4
SCHEMBL10239892 0.82 FLT3 (0.57) FLT3IRAK4NRASIRAK1LCK
SCHEMBL376063 0.81 EIF2AK4 (0.40) FLT3EIF2AK4

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 FLT3 496/4885IRAK4 816/4885NRAS 1025/4885

“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.