SCHEMBL20041

SCHEMBL20041

Cn1cc(-c2nccn3nc(Nc4ccc5c(c4)CC(=O)N5)nc23)cn1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.64
EIF2AK4 Q9P2K8 1/20 0.64
PTK2B Q14289 6/20 0.44
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
PTK2 Q05397 7/20 0.42
TBK1 Q9UHD2 1/20 0.40
BCL6 P41182 2/20 0.40
NEK2 P51955 1/20 0.40
GRIA1 P42261 3/20 0.39
AXL P30530 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL15221133 0.93 SYK (0.69) SYKEIF2AK4JAK2TYK2KDR
SCHEMBL21129 0.86 SYK (0.47) SYKEIF2AK4PTK2BPTK2TBK1
SCHEMBL19831 0.86 SYK (0.51) SYKEIF2AK4PTK2BJAK2TYK2
SCHEMBL21346 0.86 CYP1A2 (0.51) SYKEIF2AK4PTK2BJAK2PTK2
SCHEMBL15212605 0.85 SYK (0.71) SYKEIF2AK4JAK2PTK2AXL
SCHEMBL15212844 0.84 SYK (0.60) SYKEIF2AK4PTK2BJAK2PTK2
SCHEMBL19658 0.83 SYK (0.46) SYKEIF2AK4PTK2BJAK2PTK2
SCHEMBL19806 0.83 SYK (0.51) SYKEIF2AK4PTK2BJAK2TYK2
SCHEMBL19115 0.82 KDR (0.49) SYKEIF2AK4PTK2BPTK2TBK1
SCHEMBL15210757 0.82 SYK (0.78) SYKEIF2AK4JAK2PTK2AXL

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 SYK 1/4885EIF2AK4 1898/4885PTK2B 84/4885

“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.