SCHEMBL20926

SCHEMBL20926

COc1cc(Nc2nc3c(-c4c[nH]c5ccccc45)nccn3n2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PDGFRB P09619 1/20 0.43
GAA P10253 7/20 0.42
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
JAK2 O60674 4/20 0.41
JAK3 P52333 3/20 0.41
PTK2 Q05397 2/20 0.41
JAK1 P23458 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL19592 0.87 MAPT (0.48) FLT3MKNK1MKNK2GAAMAPT
SCHEMBL20402 0.81 PIK3CA (0.45) JAK2JAK3PTK2KDREGFR
SCHEMBL21899 0.81 JAK2 (0.47) JAK2JAK3PTK2KDRFLT1
SCHEMBL21968 0.81 JAK2 (0.54) JAK2JAK3PTK2KDRFLT1
SCHEMBL19738 0.81 KDR (0.53) JAK2JAK3PTK2MEN1ALDH1A1
SCHEMBL21756 0.80 JAK2 (0.48) JAK2JAK3PTK2KDRFLT1
SCHEMBL21717 0.80 JAK2 (0.46) JAK2JAK3PTK2KDRFLT1
SCHEMBL20311 0.80 JAK2 (0.51) JAK2JAK3PTK2KDRFLT1
SCHEMBL21584 0.78 FLT1 (0.44) JAK2JAK3PTK2KDRFLT1
SCHEMBL19086 0.78 JAK2 (0.47) GAAMAPTJAK2JAK3PTK2

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
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
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

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 FLT3 16/4885MKNK1 1645/4885MKNK2 1344/4885

“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.