SCHEMBL21053

SCHEMBL21053

O=C1Nc2cc(Nc3nccn4nc(Nc5ccccc5)nc34)ccc2OC1(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.49
JAK1 P23458 3/20 0.49
JAK2 O60674 10/20 0.46
SYK P43405 9/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
FGFR4 P22455 1/20 0.46
EIF2AK4 Q9P2K8 1/20 0.40
PTK2 Q05397 4/20 0.36

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
SCHEMBL21062 0.91 JAK3 (0.53) JAK3JAK1JAK2SYKEGFR
SCHEMBL21578 0.90 JAK3 (0.49) JAK3JAK1JAK2SYKEGFR
SCHEMBL23034 0.90 JAK3 (0.48) JAK3JAK1JAK2SYKEGFR
SCHEMBL22935 0.87 SYK (0.47) JAK3JAK1JAK2SYKEGFR
SCHEMBL20620 0.85 JAK3 (0.44) JAK3JAK1JAK2SYKEGFR
SCHEMBL20997 0.81 SYK (0.44) JAK3JAK1JAK2SYKEGFR
SCHEMBL16672212 0.75 JAK2 (0.43) JAK3JAK2PTK2
SCHEMBL24629 0.72 IDH2 (0.57) JAK3JAK2PTK2
SCHEMBL23189 0.72 IDH2 (0.57) JAK3JAK2PTK2
SCHEMBL16606919 0.72 JAK1 (0.51) JAK3JAK1JAK2SYKEGFR

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 12 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-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-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 JAK3 32/4885JAK1 13/4885JAK2 5/4885

“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.