SCHEMBL10239849

SCHEMBL10239849

C[C@@H]1NCCC[C@H]1Nc1cncc(-c2cnc3cnccn23)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.40
MAPK8 P45983 2/20 0.37
MAPK10 P53779 1/20 0.36
TRIM24 O15164 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNK O75909 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
MAP4K1 Q92918 2/20 0.34
FLT3 P36888 4/20 0.34
IL1B P01584 2/20 0.33
MAPK9 P45984 1/20 0.33

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
SCHEMBL10238517 1.00 IRAK4 (0.40) IRAK4MAPK8MAPK10TRIM24CCNT1
SCHEMBL10239501 1.00 IRAK4 (0.40) IRAK4MAPK8MAPK10TRIM24CCNT1
SCHEMBL10239079 0.86 IRAK4 (0.55) IRAK4MAPK8MAPK10CCNT1CCNK
SCHEMBL10239495 0.86 IRAK4 (0.55) IRAK4MAPK8MAPK10CCNT1CCNK
SCHEMBL375353 0.86 IRAK4 (0.55) IRAK4MAPK8MAPK10CCNT1CCNK
SCHEMBL10239839 0.86 IRAK4 (0.55) IRAK4MAPK8MAPK10CCNT1CCNK
SCHEMBL376521 0.84 IRAK4 (0.38) IRAK4CDK7CCNHFLT3IL1B
SCHEMBL13494284 0.84 FLT3 (0.39) IRAK4CCNT1CCNKCCNE1CDK2
SCHEMBL10239477 0.84 FLT3 (0.50) IRAK4CCNT1CCNKCCNE1CDK2
SCHEMBL10239836 0.84 FLT3 (0.50) IRAK4CCNT1CCNKCCNE1CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IRAK4 816/4885MAPK8 274/4885MAPK10 239/4885

“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.