SCHEMBL376363

SCHEMBL376363

COC(=O)c1ccc2ncc(-c3cncc(Cl)n3)n2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM33 Q9UPN9 4/20 0.40
TRIM24 O15164 1/20 0.40
FLT3 P36888 3/20 0.39
RIPK2 O43353 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
CSNK2A1 P68400 1/20 0.38
TGFBR1 P36897 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A3 P47895 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL376136 0.84 CSNK2A1 (0.39) FLT3NPC1RAB9AKDM4ECSNK2A1
SCHEMBL376746 0.80 IRAK4 (0.49) FLT3RIPK2IRAK4
SCHEMBL3491081 0.77 TGFBR1 (0.46) FLT3RIPK2IRAK4NPC1RAB9A
SCHEMBL376387 0.76 CYP11B1 (0.38) FLT3IRAK4
SCHEMBL24369137 0.75 CHEK1 (0.51) NPC1RAB9AALDH1A1KDM4ECSNK2A1
SCHEMBL29488899 0.75 CHEK1 (0.51) NPC1RAB9AALDH1A1KDM4ECSNK2A1
SCHEMBL30399843 0.73 MKNK1 (0.45) TRIM33TRIM24RIPK2NPC1RAB9A
SCHEMBL376698 0.73 EIF2AK4 (0.46)
SCHEMBL25148814 0.73 CHEK1 (0.46) RIPK2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3490519 0.73 FYN (0.55) TRIM33TRIM24FLT3RIPK2NPC1

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 9 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
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
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
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 TRIM33 3523/4885TRIM24 1828/4885FLT3 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.