SCHEMBL21403

SCHEMBL21403

Cc1nc2cc(Nc3nc4c(-c5ccccc5)nccn4n3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42
KDR P35968 4/20 0.39
CDK1 P06493 1/20 0.39
JAK2 O60674 11/20 0.38
JAK3 P52333 9/20 0.38
PTK2 Q05397 7/20 0.38
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
MERTK Q12866 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL15210682 0.87 JAK3 (0.50) JAK2JAK3PTK2
SCHEMBL19982799 0.87 SYK (0.41) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL20713 0.85 SYK (0.58) SYKEIF2AK4KDRCDK1
SCHEMBL20459 0.84 SYK (0.42) SYKEIF2AK4KDRCDK1JAK2
SCHEMBL15206932 0.84 SYK (0.40) SYKEIF2AK4KDRCDK1JAK2
SCHEMBL15210836 0.82 JAK2 (0.49) KDRJAK2JAK3PTK2FLT1
SCHEMBL20400 0.81 FLT1 (0.54) SYKEIF2AK4KDRJAK2JAK3
SCHEMBL30612 0.80 ROCK2 (0.47) SYKEIF2AK4KDRCDK1JAK2
SCHEMBL16394496 0.80 JAK2 (0.51) SYKEIF2AK4CDK1JAK2JAK3
SCHEMBL20010 0.80 KDR (0.52) SYKEIF2AK4KDRJAK2JAK3

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 SYK 1/4885EIF2AK4 1898/4885KDR 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.