SCHEMBL20079

SCHEMBL20079

Cc1cc(C)cc(Nc2nc3c(Nc4ccc5c(n4)NC(=O)C(C)(C)O5)nccn3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.50
KDR P35968 7/20 0.49
ADORA3 P0DMS8 2/20 0.49
TYRO3 Q06418 2/20 0.49
JAK1 P23458 2/20 0.49
JAK3 P52333 2/20 0.49
EIF2AK4 Q9P2K8 2/20 0.49
NTRK3 Q16288 2/20 0.49
PLK4 O00444 2/20 0.49
AURKA O14965 2/20 0.49
STK16 O75716 2/20 0.49
RET P07949 2/20 0.49
FLT3 P36888 2/20 0.49
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49
MST1R Q04912 2/20 0.49
PTK2 Q05397 2/20 0.49
TNK1 Q13470 2/20 0.49
IKBKE Q14164 2/20 0.49
MAP3K11 Q16584 2/20 0.49

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
SCHEMBL21619 0.81 SYK (0.47) SYKKDRADORA3TYRO3JAK1
SCHEMBL21578 0.78 JAK3 (0.49) SYKKDRJAK1JAK3EIF2AK4
SCHEMBL21062 0.73 JAK3 (0.53) SYKKDRJAK1JAK3EIF2AK4
SCHEMBL2627048 0.69 SYK (0.72) SYKKDRADORA3TYRO3JAK1
SCHEMBL22935 0.69 SYK (0.47) SYKJAK1JAK3EIF2AK4PTK2
SCHEMBL21053 0.68 JAK3 (0.49) SYKJAK1JAK3EIF2AK4PTK2
SCHEMBL10168534 0.68 JAK1 (0.82) SYKKDRADORA3TYRO3JAK1
SCHEMBL11937326 0.67 SYK (0.87) SYKKDRADORA3TYRO3JAK1
SCHEMBL24034 0.66 IDH2 (0.47) KDRJAK3AURKAPTK2FLT1
SCHEMBL23674 0.66 IDH2 (0.47) KDRJAK3AURKAPTK2FLT1

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 SYK 1/4885KDR 242/4885ADORA3 1676/4885

“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.