SCHEMBL19996

SCHEMBL19996

O=C1Cc2cc(Nc3nc4c(-c5ccccc5Oc5ccccc5)nccn4n3)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.42
PTK2 Q05397 13/20 0.41
JAK2 O60674 7/20 0.41
JAK3 P52333 4/20 0.41
KDR P35968 4/20 0.40
INSR P06213 2/20 0.40
AURKB Q96GD4 1/20 0.40
PTK2B Q14289 3/20 0.40
SYK P43405 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL21865 0.87 GRIA1 (0.44) PLK1PTK2KDRINSRPTK2B
SCHEMBL21129 0.85 SYK (0.47) PTK2PTK2BSYKEIF2AK4
SCHEMBL21074 0.81 PTK2 (0.42) PLK1PTK2JAK2JAK3KDR
SCHEMBL19470 0.81 GRIA1 (0.46) PLK1PTK2JAK2JAK3
SCHEMBL19115 0.80 KDR (0.49) PLK1PTK2KDRPTK2BSYK
SCHEMBL21346 0.79 CYP1A2 (0.51) PLK1PTK2JAK2JAK3KDR
SCHEMBL19658 0.79 SYK (0.46) PTK2JAK2JAK3KDRPTK2B
SCHEMBL20311 0.78 JAK2 (0.51) PTK2JAK2JAK3KDR
SCHEMBL23216 0.78 BCL6 (0.48) PLK1PTK2KDRPTK2BSYK
SCHEMBL21223 0.77 SYK (0.43) PLK1PTK2JAK2JAK3KDR

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 9 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-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

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 PLK1 692/4885PTK2 367/4885JAK2 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.