SCHEMBL31068

SCHEMBL31068

c1ccc(-c2nccn3nc(Nc4ccc5cn[nH]c5c4)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.48
DAPK3 O43293 2/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
PAK4 O96013 2/20 0.47
PIM1 P11309 2/20 0.47
PRKACA P17612 2/20 0.47
CDK2 P24941 2/20 0.47
FLT3 P36888 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CLK2 P49760 2/20 0.47
CDK9 P50750 2/20 0.47
JAK3 P52333 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP4K2 Q12851 2/20 0.47
STK3 Q13188 2/20 0.47
DYRK1A Q13627 2/20 0.47
PKN2 Q16513 2/20 0.47
HIPK2 Q9H2X6 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47

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
SCHEMBL15221159 0.92 SYK (0.45) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL30612 0.92 ROCK2 (0.47) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL15210473 0.85 SYK (0.59) SYKCDK2FLT3FGFR1JAK2
SCHEMBL19913 0.81 JAK2 (0.50) SYKCDK2JAK3JAK2KDR
SCHEMBL15206932 0.80 SYK (0.40) SYKJAK3JAK2CDK1SRC
SCHEMBL20459 0.79 SYK (0.42) SYKCDK2CDK9JAK3JAK2
SCHEMBL21403 0.78 SYK (0.42) SYKJAK3MAPK1JAK2CDK1
SCHEMBL19202 0.78 PSEN1 (0.46) SYKJAK3JAK2CDC7EIF2AK4
SCHEMBL21722 0.77 ERBB2 (0.42) SYKMAPK1EGFRERBB4EIF2AK4
SCHEMBL20400 0.77 FLT1 (0.54) SYKCDK2JAK3JAK2SRC

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES SYK, IRAK1, ZAP70 SYK 1/4885DAPK3 153/4885PRKD3 262/4885

“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.