SCHEMBL20546

SCHEMBL20546

FC(F)(F)Oc1ccc(Nc2nc3c(-c4cccnc4)nccn3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
PTK2 Q05397 3/20 0.44
AURKA O14965 1/20 0.43
ABL1 P00519 8/20 0.43
KCNH2 Q12809 2/20 0.43
OPRM1 P35372 1/20 0.43
NPY5R Q15761 1/20 0.43
BCR P11274 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSC P53634 1/20 0.41
PLK1 P53350 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 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
SCHEMBL15207000 0.91 ABL1 (0.42) JAK2JAK3PTK2ABL1KCNH2
SCHEMBL19845 0.86 AURKA (0.58) JAK2JAK3PTK2AURKAPLK1
SCHEMBL20668 0.86 JAK2 (0.42) JAK2JAK3PTK2KCNH2CTSC
SCHEMBL15207847 0.86 KCNH2 (0.47) JAK2JAK3PTK2ABL1KCNH2
SCHEMBL19540 0.86 JAK2 (0.44) JAK2JAK3PTK2AURKAGSK3A
SCHEMBL19605 0.84 NPC1 (0.52) JAK2JAK3PTK2AURKANPC1
SCHEMBL15206945 0.84 JAK2 (0.48) JAK2JAK3PTK2ABL1KCNH2
SCHEMBL19101 0.84 TRPA1 (0.44) JAK2JAK3PTK2ABL1KCNH2
SCHEMBL15207419 0.84 ABL1 (0.45) JAK2JAK3ABL1KCNH2BCR
SCHEMBL15207567 0.84 KIT (0.40) JAK2JAK3PTK2ABL1KCNH2

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 JAK2 5/4885JAK3 32/4885PTK2 367/4885

“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.