SCHEMBL376404

SCHEMBL376404

c1cnn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.56
FLT3 P36888 8/20 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
PRKCZ Q05513 1/20 0.41
CCNT1 O60563 2/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CDK2 P24941 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
DYRK1A Q13627 1/20 0.39
MKNK1 Q9BUB5 1/20 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
SCHEMBL376173 0.97 IRAK4 (0.53) IRAK4FLT3IRAK1LCKRET
SCHEMBL384845 0.84 IRAK4 (0.79) IRAK4FLT3IRAK1LCKRET
SCHEMBL376279 0.84 IRAK4 (0.79) IRAK4FLT3IRAK1LCKRET
SCHEMBL376462 0.83 DYRK1A (0.43) IRAK4FLT3IRAK1LCKRET
SCHEMBL376359 0.83 DYRK1A (0.43) IRAK4FLT3IRAK1LCKRET
SCHEMBL24542570 0.82 IRAK4 (0.70) IRAK4FLT3IRAK1LCKRET
SCHEMBL376686 0.81 IRAK4 (0.59) IRAK4FLT3IRAK1LCKRET
SCHEMBL376756 0.80 DYRK1A (0.41) IRAK4FLT3NRASPIM1PIM3
SCHEMBL10239821 0.80 DYRK1A (0.41) IRAK4FLT3NRASPIM1PIM3
SCHEMBL376755 0.80 DYRK1A (0.41) IRAK4FLT3NRASPIM1PIM3

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 496/4885IRAK1 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.