SCHEMBL20406

SCHEMBL20406

COc1ccc(Nc2nc3c(-c4cccc(C(N)=O)c4)nccn3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.49
JAK2 O60674 5/20 0.48
SYK P43405 4/20 0.48
PTK2 Q05397 3/20 0.48
JAK3 P52333 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
PIK3CG P48736 2/20 0.42
EGFR P00533 2/20 0.42
PIK3CA P42336 2/20 0.41
PDE2A O00408 1/20 0.41
PDE5A O76074 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
FGFR1 P11362 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
SCHEMBL20897 0.89 MKNK1 (0.48) FYNJAK2SYKPTK2JAK3
SCHEMBL20535 0.88 SYK (0.48) JAK2SYKPTK2JAK3PIK3CG
SCHEMBL22320 0.86 FYN (0.56) FYNJAK2SYKPTK2JAK3
SCHEMBL19518 0.84 JAK2 (0.56) FYNJAK2SYKPTK2JAK3
SCHEMBL21149 0.83 SYK (0.46) FYNSYKPIK3CG
SCHEMBL20347 0.82 JAK2 (0.48) FYNJAK2SYKPTK2JAK3
SCHEMBL20276 0.79 JAK2 (0.48) FYNJAK2SYKPTK2JAK3
SCHEMBL21450 0.79 JAK2 (0.52) FYNJAK2PTK2JAK3MEN1
SCHEMBL20773 0.79 JAK2 (0.53) FYNJAK2PTK2JAK3MEN1
SCHEMBL20147 0.78 JAK2 (0.55) JAK2PTK2JAK3EGFR

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 14 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-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-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 FYN 31/4885JAK2 5/4885SYK 1/4885

“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.