SCHEMBL19828

SCHEMBL19828

COc1cc(OC)cc(-c2nccn3nc(Nc4cccc(C(F)(F)F)c4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
JAK2 O60674 7/20 0.48
JAK3 P52333 6/20 0.48
APP P05067 1/20 0.48
GSK3B P49841 2/20 0.47
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
PTK2 Q05397 6/20 0.45
SYK P43405 1/20 0.45
IDH2 P48735 2/20 0.44
KDR P35968 2/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
AURKA O14965 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL24621 0.86 MAPT (0.48) LMNAMAPTMAPK1JAK2JAK3
SCHEMBL23984 0.86 MAPT (0.48) LMNAMAPTMAPK1JAK2JAK3
SCHEMBL21099 0.86 PTK2 (0.46) LMNAMAPTJAK2JAK3PTK2
SCHEMBL20044 0.86 KDR (0.55) JAK2JAK3GSK3BABCG2PTK2
SCHEMBL21661 0.86 JAK2 (0.51) JAK2JAK3PTK2KDRFLT1
SCHEMBL21584 0.83 FLT1 (0.44) JAK2JAK3PTK2SYKKDR
SCHEMBL20255 0.83 KIF11 (0.52) MAPTJAK2JAK3GSK3BPTK2
SCHEMBL15206924 0.80 LMNA (0.47) LMNAMAPTMAPK1JAK2JAK3
SCHEMBL19738 0.79 KDR (0.53) LMNAJAK2JAK3PTK2SYK
SCHEMBL19281 0.79 KDR (0.41) JAK2JAK3PTK2SYKKDR

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 16 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
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 LMNA 4697/4885MAPT 4687/4885MAPK1 353/4885

“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.