SCHEMBL376166

SCHEMBL376166

CC(C)c1cn2c(-c3cncc(N[C@@H]4CC[C@@H](C)NC4)n3)cnc2s1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.32
CHEK1 O14757 1/20 0.32
KCNH2 Q12809 1/20 0.32
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
GSK3B P49841 2/20 0.31
FLT3 P36888 4/20 0.31
IRAK4 Q9NWZ3 3/20 0.31
NRAS P01111 2/20 0.31
IRAK1 P51617 2/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CDK7 P50613 2/20 0.30
CCNH P51946 2/20 0.30
LCK P06239 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
BLK P51451 1/20 0.30
SRPK1 Q96SB4 1/20 0.30

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
SCHEMBL10239840 1.00 DYRK1A (0.32) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL10239806 0.87 FLT3 (0.33) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL10239478 0.87 FLT3 (0.33) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL10239818 0.86 CHEK1 (0.32) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL10238360 0.86 CHEK1 (0.32) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL10239827 0.85 FLT3 (0.45) DYRK1ACHEK1FLT3IRAK4NRAS
SCHEMBL10239862 0.82 CHEK1 (0.32) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL1922478 0.82 CHEK1 (0.32) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL1923491 0.82 CHEK1 (0.32) DYRK1ACHEK1KCNH2CLK2CLK3
SCHEMBL10238515 0.79

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
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 1255/4885CHEK1 56/4885KCNH2 719/4885

“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.