SCHEMBL23858

SCHEMBL23858

COc1cc(Nc2nc3c(NCCCN4CCOCC4)nccn3n2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 4/20 0.43
KMT2A Q03164 3/20 0.43
TLR9 Q9NR96 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
FLT3 P36888 4/20 0.42
MKNK1 Q9BUB5 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL24403 0.91 JAK2 (0.44) POLBMAPTJAK2JAK3PTK2
SCHEMBL23523 0.88 LMNA (0.48) POLBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL23505 0.84 KMT2A (0.53) POLBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL23085 0.83 EGFR (0.53) POLBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL23275 0.83 ZAP70 (0.44) JAK2JAK3PTK2SYK
SCHEMBL24392 0.81 ZAP70 (0.42) POLBMAPTKMT2AJAK2JAK3
SCHEMBL23412 0.81 ZAP70 (0.53) JAK2PTK2SYK
SCHEMBL21985 0.81 JAK2 (0.41) JAK2JAK3PTK2SYK
SCHEMBL24502 0.79 SLC6A2 (0.51) POLBMAPTJAK2JAK3PTK2
SCHEMBL15210398 0.79 JAK2 (0.50) KMT2ANPC1RAB9AJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 POLB 4209/4885MAPT 4687/4885KDM4E 1552/4885

“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.