SCHEMBL21042

SCHEMBL21042

COc1cc(Nc2nc3c(NC4CCOCC4)nccn3n2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.43
JAK3 P52333 3/20 0.41
PTK2 Q05397 3/20 0.41
PDGFRA P16234 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
SYK P43405 5/20 0.39
ZAP70 P43403 3/20 0.39
NUAK1 O60285 1/20 0.38
SELP P16109 1/20 0.38
TYRO3 Q06418 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
TTK P33981 1/20 0.38
ULK1 O75385 1/20 0.37
ULK2 Q8IYT8 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL21985 0.85 JAK2 (0.41) JAK2JAK3PTK2SYKZAP70
SCHEMBL15207238 0.80 SYK (0.57) SYKZAP70
SCHEMBL20405 0.80 JAK2 (0.42) JAK2JAK3PTK2NUAK1MAPK8
SCHEMBL15210398 0.79 JAK2 (0.50) JAK2JAK3PTK2
SCHEMBL23858 0.78 POLB (0.45) JAK2JAK3PTK2SYKMKNK1
SCHEMBL23412 0.75 ZAP70 (0.53) JAK2PTK2SYKZAP70
SCHEMBL20918 0.75 FLT1 (0.42) JAK2JAK3PTK2CDK2SYK
SCHEMBL21584 0.74 FLT1 (0.44) JAK2JAK3PTK2SYKZAP70
SCHEMBL23275 0.73 ZAP70 (0.44) JAK2JAK3PTK2SYKZAP70
SCHEMBL15210501 0.73 JAK2 (0.41) JAK2JAK3PTK2PDGFRACCNE1

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 12 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-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 JAK2 5/4885JAK3 32/4885PTK2 367/4885

“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.