SCHEMBL376265

SCHEMBL376265

CC(C)(C)C1[C@H](Nc2cncc(-c3cnc4cc(C(N)=O)ccn34)n2)CCCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.34
GSK3B P49841 5/20 0.33
DYRK1A Q13627 5/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
PRMT5 O14744 2/20 0.33
RIPK2 O43353 1/20 0.33
FLT3 P36888 2/20 0.32
HPGD P15428 1/20 0.31
SYK P43405 3/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
MAP3K12 Q12852 1/20 0.31
KDR P35968 2/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
PDPK1 O15530 1/20 0.31
DAPK3 O43293 1/20 0.31

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
SCHEMBL429602 0.82 FLT3 (0.35) FLT3KDRCSF1RSIK2
SCHEMBL15203511 0.79 IRAK4 (0.40) IRAK4GSK3BDYRK1AFLT3HPGD
SCHEMBL10239510 0.77 FLT3 (0.44) IRAK4GSK3BDYRK1APIM1PIM2
SCHEMBL376264 0.77 BTK (0.42) IRAK4PIM1PIM2KDRCHEK2
SCHEMBL376071 0.76 MAPK8 (0.37) PIM1PIM2MAPK10
SCHEMBL376184 0.75 EIF2AK4 (0.46)
SCHEMBL376298 0.74 IRAK4 (0.54) IRAK4FLT3CHEK1LCKRET
SCHEMBL377034 0.73 ALDH1A1 (0.34) IRAK4PRMT5
SCHEMBL376792 0.73 IRAK4 (0.40) IRAK4FLT3IGF1RCDK2MAPK10
SCHEMBL376302 0.71 IGF1R (0.39) IRAK4IGF1RCDK2MAPK10

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 2 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

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 816/4885GSK3B 1031/4885DYRK1A 1255/4885

“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.