SCHEMBL30612

SCHEMBL30612

c1ccc(-c2nccn3nc(Nc4ccc5[nH]ncc5c4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.47
KDR P35968 6/20 0.47
GSK3B P49841 4/20 0.47
SYK P43405 4/20 0.47
PIM1 P11309 2/20 0.47
DYRK3 O43781 2/20 0.47
CLK2 P49760 2/20 0.47
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
AURKB Q96GD4 2/20 0.47
EGFR P00533 2/20 0.47
FLT1 P17948 2/20 0.47
MAPKAPK2 P49137 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47

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
SCHEMBL31068 0.92 SYK (0.48) ROCK2KDRGSK3BSYKPIM1
SCHEMBL15221159 0.84 SYK (0.45) ROCK2KDRGSK3BSYKPIM1
SCHEMBL21554 0.82 SYK (0.44) ROCK2KDRGSK3BSYKPIM1
SCHEMBL15206932 0.82 SYK (0.40) KDRSYKJAK2CDK1SRC
SCHEMBL20459 0.81 SYK (0.42) KDRSYKJAK2CDK1CDK2
SCHEMBL19913 0.81 JAK2 (0.50) KDRGSK3BSYKJAK2CDK2
SCHEMBL21403 0.80 SYK (0.42) KDRSYKFLT1JAK2CDK1
SCHEMBL21318 0.80 SYK (0.47) ROCK2KDRGSK3BSYKPIM1
SCHEMBL21581 0.78 PSEN1 (0.55) KDRSYKJAK2JAK3CDC7
SCHEMBL15210473 0.77 SYK (0.59) SYKEGFRJAK2NTRK1ROS1

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 ROCK2 127/4885KDR 242/4885GSK3B 712/4885

“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.