SCHEMBL20495

SCHEMBL20495

Cn1cc(-c2nccn3nc(Nc4ccc(N5CCOCC5)cc4)nc23)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.57
JAK2 O60674 9/20 0.55
JAK3 P52333 9/20 0.55
PTK2 Q05397 7/20 0.55
MAPK10 P53779 7/20 0.54
SYK P43405 1/20 0.53
EIF2AK4 Q9P2K8 1/20 0.53
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
JUN P05412 5/20 0.48
MAPK8 P45983 2/20 0.48
MAPK9 P45984 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
STAT3 P40763 1/20 0.48
AURKA O14965 1/20 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
SCHEMBL19153 0.91 JAK2 (0.58) TTKJAK2JAK3PTK2SYK
SCHEMBL15221148 0.90 JAK2 (0.54) TTKJAK2JAK3PTK2MAPK10
SCHEMBL19384 0.88 JAK2 (0.54) TTKJAK2JAK3PTK2MAPK10
SCHEMBL19286 0.87 JAK3 (0.55) TTKJAK2JAK3PTK2MAPK10
SCHEMBL20626 0.86 JAK2 (0.59) JAK2JAK3PTK2JAK1
SCHEMBL20563 0.84 JAK2 (0.50) TTKJAK2JAK3PTK2MAPK10
SCHEMBL20703 0.84 JAK2 (0.51) JAK2JAK3PTK2MAPK10AURKA
SCHEMBL20504 0.84 JAK2 (0.74) JAK2JAK3PTK2MAPK10MAPK8
SCHEMBL19823 0.84 STAT6 (0.54) JAK2JAK3PTK2MAPK10JAK1
SCHEMBL15212574 0.82 SYK (0.58) TTKJAK2JAK3PTK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP claimed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
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
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 TTK 866/4885JAK2 5/4885JAK3 32/4885

“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.