SCHEMBL21074

SCHEMBL21074

Cc1c(N)cccc1-c1nccn2nc(Nc3ccc4c(c3)CC(=O)N4)nc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.42
SYK P43405 2/20 0.41
EIF2AK4 Q9P2K8 1/20 0.41
KDR P35968 5/20 0.40
PLK1 P53350 4/20 0.40
PTK2B Q14289 2/20 0.40
BCL6 P41182 1/20 0.39
KIF11 P52732 1/20 0.38
NEK2 P51955 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
INSR P06213 1/20 0.37
AURKB Q96GD4 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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 0.84 GRIA1 (0.44) PTK2SYKEIF2AK4KDRPLK1
SCHEMBL21129 0.82 SYK (0.47) PTK2SYKEIF2AK4PTK2BBCL6
SCHEMBL19115 0.82 KDR (0.49) PTK2SYKEIF2AK4KDRPLK1
SCHEMBL19996 0.81 PLK1 (0.42) PTK2SYKEIF2AK4KDRPLK1
SCHEMBL21346 0.80 CYP1A2 (0.51) PTK2SYKEIF2AK4KDRPLK1
SCHEMBL20183 0.80 BCL6 (0.44) PTK2SYKEIF2AK4KDRPTK2B
SCHEMBL19470 0.80 GRIA1 (0.46) PTK2PLK1JAK2JAK3TBK1
SCHEMBL19454 0.79 SYK (0.44) PTK2SYKEIF2AK4KDRPLK1
SCHEMBL20534 0.79 SYK (0.45) PTK2SYKEIF2AK4KDRPTK2B
SCHEMBL20041 0.79 SYK (0.64) PTK2SYKEIF2AK4KDRPTK2B

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 PTK2 367/4885SYK 1/4885EIF2AK4 1898/4885

“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.