SCHEMBL20159

SCHEMBL20159

Nc1ccc(-c2nccn3nc(Nc4ccc(Cl)cc4)nc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
AURKA O14965 1/20 0.39
AOC3 Q16853 2/20 0.39
KCNH2 Q12809 3/20 0.39
SCN5A Q14524 2/20 0.39
SYK P43405 2/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
LTA4H P09960 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
KDR P35968 1/20 0.38
BRAF P15056 2/20 0.37
CD63 P08962 1/20 0.37
CYP1A2 P05177 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP7 P55210 1/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 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
SCHEMBL19843 0.87 SYK (0.40) SCN9AAURKASYKEIF2AK4BRAF
SCHEMBL19495 0.86 JAK2 (0.49) AURKASYKCD63ALDH1A1JAK2
SCHEMBL21741 0.86 SYK (0.39) SYKEIF2AK4CD63JAK2JAK3
SCHEMBL19998 0.84 MAPT (0.43) SYKEIF2AK4KDRCD63JAK2
SCHEMBL30008 0.84 AURKA (0.55) AURKASYKEIF2AK4BRAFJAK2
SCHEMBL20136 0.84 SYK (0.39) SCN9AAURKAKCNH2SCN5ASYK
SCHEMBL15207896 0.84 CHEK1 (0.40) AURKASYKEIF2AK4KDRBRAF
SCHEMBL30618 0.84 JAK2 (0.52) AURKASYKEIF2AK4CYP1A2USP2
SCHEMBL20993 0.83 ROCK1 (0.42) SYKEIF2AK4CD63JAK2JAK3
SCHEMBL15207847 0.83 KCNH2 (0.47) SCN9AKCNH2SCN5AJAK2JAK3

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
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-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
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 SCN9A 4405/4885AURKA 1170/4885AOC3 3567/4885

“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.