SCHEMBL376039

SCHEMBL376039

c1ccn2c(-c3cncc(N[C@@H]4CCCNC4)n3)nnc2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.60
PIM1 P11309 13/20 0.55
PIM2 Q9P1W9 12/20 0.55
FLT3 P36888 2/20 0.46
LCK P06239 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
CDK7 P50613 1/20 0.46
BLK P51451 1/20 0.46
IRAK1 P51617 1/20 0.46
CCNH P51946 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 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
SCHEMBL384845 0.84 IRAK4 (0.79) IRAK4FLT3LCKRETPDGFRB
SCHEMBL376279 0.84 IRAK4 (0.79) IRAK4FLT3LCKRETPDGFRB
SCHEMBL10238372 0.84 IRAK4 (0.58) IRAK4PIM1PIM2FLT3LCK
SCHEMBL376677 0.78 IRAK4 (0.78) IRAK4FLT3LCKRETPDGFRB
SCHEMBL376510 0.78 IRAK4 (0.78) IRAK4FLT3LCKRETPDGFRB
SCHEMBL15203427 0.78 MAPK8 (0.41) PIM1PIM2MAPK8MAPK9MAPK10
SCHEMBL2361493 0.76 CCNT1 (0.61) IRAK4PIM1PIM2FLT3LCK
SCHEMBL376042 0.76 CCNT1 (0.61) IRAK4PIM1PIM2FLT3LCK
SCHEMBL10238382 0.76 IRAK4 (0.56) IRAK4FLT3LCKRETPDGFRB
SCHEMBL22145804 0.75 IRAK4 (1.00) IRAK4FLT3LCKRETPDGFRB

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 8 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
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 816/4885PIM1 358/4885PIM2 369/4885

“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.