SCHEMBL376798

SCHEMBL376798

F[C@H]1CCNC[C@@H]1Nc1cncc(-c2cnc3ccccn23)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.59
FLT3 P36888 2/20 0.53
MAPK8 P45983 2/20 0.52
NRAS P01111 1/20 0.43
IRAK1 P51617 1/20 0.43
MAPK9 P45984 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNK O75909 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
DYRK1A Q13627 3/20 0.42
CLK2 P49760 2/20 0.42
CLK3 P49761 2/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL376245 1.00 IRAK4 (0.59) IRAK4FLT3MAPK8NRASIRAK1
SCHEMBL12553157 1.00 IRAK4 (0.59) IRAK4FLT3MAPK8NRASIRAK1
SCHEMBL10239799 0.91 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9
SCHEMBL376281 0.91 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9
SCHEMBL10239869 0.88 IRAK4 (0.59) IRAK4FLT3MAPK8NRASIRAK1
SCHEMBL376677 0.86 IRAK4 (0.78) IRAK4FLT3MAPK8NRASIRAK1
SCHEMBL376510 0.86 IRAK4 (0.78) IRAK4FLT3MAPK8NRASIRAK1
SCHEMBL376369 0.85 IRAK4 (0.56) IRAK4FLT3MAPK8NRASIRAK1
SCHEMBL10239904 0.85 IRAK4 (0.56) IRAK4FLT3MAPK8NRASIRAK1
SCHEMBL24977141 0.84 FLT3 (0.57) IRAK4FLT3NRASIRAK1CDK7

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 5 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
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

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 496/4885MAPK8 274/4885

“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.