SCHEMBL376359

SCHEMBL376359

C[C@@H]1CC[C@@H](Nc2cncc(-c3cnc4cccnn34)n2)CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
IRAK4 Q9NWZ3 10/20 0.39
MKNK1 Q9BUB5 1/20 0.39
FLT3 P36888 8/20 0.37
NRAS P01111 4/20 0.36
CDK7 P50613 3/20 0.36
CCNH P51946 3/20 0.36
IRAK1 P51617 3/20 0.36
LCK P06239 2/20 0.36
RET P07949 2/20 0.36
PDGFRB P09619 2/20 0.36
CCNK O75909 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KLK7 P49862 1/20 0.35
SSTR4 P31391 1/20 0.35
BLK P51451 1/20 0.35

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
SCHEMBL376462 1.00 DYRK1A (0.43) DYRK1AIRAK4MKNK1FLT3NRAS
SCHEMBL376796 0.84 IRAK4 (0.57) DYRK1AIRAK4FLT3
SCHEMBL376547 0.84 IRAK4 (0.57) DYRK1AIRAK4FLT3
SCHEMBL376404 0.83 IRAK4 (0.56) DYRK1AIRAK4MKNK1FLT3NRAS
SCHEMBL376173 0.82 IRAK4 (0.53) DYRK1AIRAK4MKNK1FLT3NRAS
SCHEMBL10239499 0.81 IRAK4 (0.41) IRAK4FLT3NRASCDK7CCNH
SCHEMBL10239482 0.78 FLT3 (0.43) IRAK4FLT3NRASCDK7CCNH
SCHEMBL1922836 0.78 FLT3 (0.43) IRAK4FLT3NRASCDK7CCNH
SCHEMBL10239819 0.77 DYRK1A (0.35) DYRK1AIRAK4FLT3NRASCDK7
SCHEMBL10238345 0.77 DYRK1A (0.35) DYRK1AIRAK4FLT3NRASCDK7

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 6 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
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 1255/4885IRAK4 816/4885MKNK1 65/4885

“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.