SCHEMBL20400

SCHEMBL20400

Cc1cccc(Nc2nc3c(-c4ccccc4)nccn3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.54
FLT4 P35916 3/20 0.54
KDR P35968 3/20 0.54
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
PTK2 Q05397 2/20 0.47
JAK2 O60674 4/20 0.46
JAK3 P52333 3/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
AURKA O14965 1/20 0.43
MAPK8 P45983 1/20 0.43
AURKB Q96GD4 1/20 0.43
KCNH3 Q9ULD8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
NFKB1 P19838 1/20 0.42
GAA P10253 1/20 0.42
SYK P43405 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
SCHEMBL20010 0.91 KDR (0.52) FLT1FLT4KDRTP53MAPT
SCHEMBL18894 0.90 ABL1 (0.56) FLT1FLT4KDRTP53MAPT
SCHEMBL19913 0.88 JAK2 (0.50) KDRPTK2JAK2JAK3AURKA
SCHEMBL21099 0.86 PTK2 (0.46) FLT1FLT4KDRTP53MAPT
SCHEMBL20318 0.84 MAPT (0.59) TP53MAPTPTK2JAK2JAK3
SCHEMBL20044 0.83 KDR (0.55) FLT1FLT4KDRPTK2JAK2
SCHEMBL21018 0.82 NFKB1 (0.51) FLT1FLT4KDRTP53MAPT
SCHEMBL20465 0.82 KDR (0.43) FLT1FLT4KDRTP53MAPT
SCHEMBL21230 0.81 KDR (0.43) FLT1FLT4KDRMAPTJAK2
SCHEMBL21403 0.81 SYK (0.42) FLT1FLT4KDRPTK2JAK2

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

“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.