SCHEMBL20708

SCHEMBL20708

c1ccc(-c2nccn3nc(Nc4ccc5ncoc5c4)nc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 2/20 0.43
SYK P43405 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGFBR1 P36897 1/20 0.39
JAK2 O60674 8/20 0.39
JAK3 P52333 7/20 0.39
PTK2 Q05397 4/20 0.39
ULK1 O75385 1/20 0.37
ULK2 Q8IYT8 1/20 0.37
GAA P10253 1/20 0.36
CFTR P13569 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 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
SCHEMBL15208049 0.81 JAK2 (0.40) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19913 0.81 JAK2 (0.50) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL20459 0.77 SYK (0.42) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL20400 0.77 FLT1 (0.54) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL20010 0.77 KDR (0.52) SYKEIF2AK4JAK2JAK3TP53
SCHEMBL15207212 0.76 SYK (0.51) SYKEIF2AK4NPC1RAB9ASMN1; SMN2
SCHEMBL21403 0.76 SYK (0.42) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15206932 0.76 SYK (0.40) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL31068 0.75 SYK (0.48) SYKEIF2AK4NPC1RAB9AJAK2
SCHEMBL30612 0.75 ROCK2 (0.47) SYKEIF2AK4JAK2JAK3

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 PRKD1 245/4885SYK 1/4885EIF2AK4 1898/4885

“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.