SCHEMBL20405

SCHEMBL20405

COc1cc(Nc2nc3c(N(C)C4CCOCC4)nccn3n2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.42
TTK P33981 1/20 0.39
JAK3 P52333 9/20 0.38
PTK2 Q05397 9/20 0.38
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
PDE10A Q9Y233 1/20 0.36
FGFR1 P11362 2/20 0.35
EPHB4 P54760 2/20 0.35
NUAK1 O60285 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDR P35968 2/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL21537 0.86 TTK (0.43) JAK2TTKJAK3PTK2
SCHEMBL20247 0.82 FLT1 (0.41) JAK2JAK3PTK2KDRFLT1
SCHEMBL21042 0.80 JAK2 (0.43) JAK2TTKJAK3PTK2NUAK1
SCHEMBL21985 0.78 JAK2 (0.41) JAK2TTKJAK3PTK2PDE6D
SCHEMBL15210398 0.78 JAK2 (0.50) JAK2JAK3PTK2PDE6APDE10A
SCHEMBL15210525 0.76 SYK (0.45) JAK2JAK3PTK2MAPK14KDR
SCHEMBL20918 0.73 FLT1 (0.42) JAK2JAK3PTK2FGFR1KDR
SCHEMBL21584 0.72 FLT1 (0.44) JAK2JAK3PTK2KDRFLT1
SCHEMBL15210501 0.72 JAK2 (0.41) JAK2JAK3PTK2NUAK1KDR
SCHEMBL19502 0.72 JAK2 (0.41) JAK2JAK3PTK2NUAK1KDR

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-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
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 5/4885TTK 866/4885JAK3 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.