SCHEMBL426804

SCHEMBL426804

CC(C)(C)OC(=O)N1CCCC(Nc2cncc(-c3cnc4cc(Cl)ccn34)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.44
ANO1 Q5XXA6 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
EGFR P00533 4/20 0.41
BTK Q06187 4/20 0.41
FGFR3 P22607 2/20 0.41
KDR P35968 2/20 0.41
USP30 Q70CQ3 3/20 0.40
CCNT1 O60563 1/20 0.38
ALOX5 P09917 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38

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
SCHEMBL426805 1.00 FLT3 (0.44) FLT3ANO1CNR1CNR2EGFR
SCHEMBL376077 0.89 USP30 (0.41) FLT3BTKFGFR3KDRUSP30
SCHEMBL376264 0.89 BTK (0.42) BTKFGFR3KDRUSP30HDAC4
SCHEMBL24975700 0.88 FLT3 (0.41) FLT3EGFRBTKFGFR3KDR
SCHEMBL376422 0.88 FLT3 (0.53) FLT3EGFRBTKALOX5
SCHEMBL376423 0.88 FLT3 (0.53) FLT3EGFRBTKALOX5
SCHEMBL376678 0.88 IRAK4 (0.45) FLT3USP30HDAC4HDAC6
SCHEMBL376257 0.88 IRAK4 (0.45) FLT3USP30HDAC4HDAC6
SCHEMBL376256 0.88 IRAK4 (0.45) FLT3USP30HDAC4HDAC6
SCHEMBL12552842 0.87 SYK (0.39) ANO1BTKFGFR3KDRUSP30

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 FLT3 496/4885ANO1 1632/4885CNR1 614/4885

“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.