SCHEMBL20044

SCHEMBL20044

FC(F)(F)c1cccc(Nc2nc3c(-c4ccccc4)nccn3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
IDH2 P48735 2/20 0.53
GSK3B P49841 4/20 0.52
AURKA O14965 2/20 0.51
JAK2 O60674 4/20 0.48
PTK2 Q05397 3/20 0.48
JAK3 P52333 3/20 0.48
CDK2 P24941 1/20 0.47
CTSC P53634 1/20 0.46
MAPK8 P45983 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL20255 0.91 KIF11 (0.52) KDRFLT1FLT4IDH2GSK3B
SCHEMBL19828 0.86 LMNA (0.48) KDRFLT1FLT4IDH2GSK3B
SCHEMBL23189 0.86 IDH2 (0.57) KDRFLT1FLT4IDH2AURKA
SCHEMBL24629 0.86 IDH2 (0.57) KDRFLT1FLT4IDH2AURKA
SCHEMBL19913 0.85 JAK2 (0.50) KDRGSK3BAURKAJAK2PTK2
SCHEMBL19568 0.85 MTOR (0.53) JAK2PTK2JAK3CTSC
SCHEMBL22741 0.84 AURKA (0.46) KDRFLT1FLT4IDH2AURKA
SCHEMBL23696 0.84 AURKA (0.52) KDRFLT1FLT4IDH2AURKA
SCHEMBL20881 0.83 AURKA (0.51) KDRFLT1FLT4IDH2AURKA
SCHEMBL20400 0.83 FLT1 (0.54) KDRFLT1FLT4AURKAJAK2

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 KDR 242/4885FLT1 47/4885FLT4 174/4885

“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.