SCHEMBL1923038

SCHEMBL1923038

CC(C)OCCOc1ccn2c(-c3cncc(NC4CCCN(C(=O)OC(C)(C)C)C4)n3)cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.39
FGFR3 P22607 1/20 0.39
FLT3 P36888 1/20 0.38
NEK2 P51955 2/20 0.37
RET P07949 1/20 0.36
USP30 Q70CQ3 2/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
TRPV3 Q8NET8 1/20 0.35
CYP2C9 P11712 1/20 0.35
CSF1R P07333 1/20 0.35
MAPK1 P28482 2/20 0.34
PADI4 Q9UM07 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SIK2 Q9H0K1 1/20 0.34
SIK3 Q9Y2K2 1/20 0.34

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
SCHEMBL429603 1.00 KDR (0.39) KDRFGFR3FLT3NEK2RET
SCHEMBL24975700 0.91 FLT3 (0.41) KDRFGFR3FLT3NEK2USP30
SCHEMBL426805 0.85 FLT3 (0.44) KDRFGFR3FLT3USP30PIM1
SCHEMBL426804 0.85 FLT3 (0.44) KDRFGFR3FLT3USP30PIM1
SCHEMBL376077 0.83 USP30 (0.41) KDRFGFR3FLT3USP30PIM1
SCHEMBL376264 0.83 BTK (0.42) KDRFGFR3NEK2USP30PIM1
SCHEMBL376256 0.82 IRAK4 (0.45) FLT3USP30HDAC4HDAC6
SCHEMBL376678 0.82 IRAK4 (0.45) FLT3USP30HDAC4HDAC6
SCHEMBL376257 0.82 IRAK4 (0.45) FLT3USP30HDAC4HDAC6
SCHEMBL12552842 0.81 SYK (0.39) KDRFGFR3USP30PIM1PIM2

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
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US 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 KDR 821/4885FGFR3 2087/4885FLT3 496/4885

“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.