SCHEMBL376755

SCHEMBL376755

F[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3cccnn23)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.41
MKNK1 Q9BUB5 1/20 0.41
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
GSK3B P49841 2/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
FLT3 P36888 7/20 0.39
IRAK4 Q9NWZ3 5/20 0.39
SSTR4 P31391 1/20 0.36
NRAS P01111 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
KLK7 P49862 1/20 0.34

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
SCHEMBL376756 1.00 DYRK1A (0.41) DYRK1AMKNK1CLK2CLK3GSK3B
SCHEMBL10239821 1.00 DYRK1A (0.41) DYRK1AMKNK1CLK2CLK3GSK3B
SCHEMBL24542344 0.88 FLT3 (0.52) DYRK1AFLT3IRAK4NRAS
SCHEMBL376281 0.83 IRAK4 (0.58) FLT3IRAK4
SCHEMBL10239799 0.83 IRAK4 (0.58) FLT3IRAK4
SCHEMBL376404 0.80 IRAK4 (0.56) DYRK1AMKNK1PIM1PIM3PIM2
SCHEMBL376173 0.79 IRAK4 (0.53) DYRK1AMKNK1PIM1PIM3PIM2
SCHEMBL12553306 0.78 FLT3 (0.44) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL10238509 0.78 FLT3 (0.44) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL376359 0.77 DYRK1A (0.43) DYRK1AMKNK1PIM1PIM3PIM2

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 DYRK1A 1255/4885MKNK1 65/4885CLK2 60/4885

“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.