SCHEMBL30008

SCHEMBL30008

Clc1ccc(Nc2nc3c(-c4cccnc4)nccn3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.55
JAK2 O60674 3/20 0.48
JAK3 P52333 2/20 0.48
PTK2 Q05397 2/20 0.48
BRAF P15056 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 3/20 0.44
JAK1 P23458 2/20 0.40
TP53 P04637 1/20 0.40
ABL1 P00519 3/20 0.40
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
BCR P11274 2/20 0.40
SYK P43405 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
PLK1 P53350 1/20 0.39
EGFR P00533 1/20 0.39
ADORA2A P29274 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
SCHEMBL15208115 0.89 AURKA (0.46) AURKAJAK2JAK3PTK2BRAF
SCHEMBL19500 0.89 AURKA (0.53) AURKAJAK2JAK3PTK2MEN1
SCHEMBL15207717 0.85 JAK2 (0.48) AURKAJAK2JAK3PTK2SYK
SCHEMBL19845 0.85 AURKA (0.58) AURKAJAK2JAK3PTK2MAPT
SCHEMBL20159 0.84 SCN9A (0.42) AURKAJAK2JAK3PTK2BRAF
SCHEMBL19843 0.84 SYK (0.40) AURKAJAK2JAK3PTK2BRAF
SCHEMBL19605 0.84 NPC1 (0.52) AURKAJAK2JAK3PTK2MEN1
SCHEMBL19540 0.83 JAK2 (0.44) AURKAJAK2JAK3PTK2GAA
SCHEMBL20546 0.83 JAK2 (0.44) AURKAJAK2JAK3PTK2ABL1
SCHEMBL20253 0.83 KDR (0.54) AURKAJAK2JAK3PTK2MEN1

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 AURKA 1170/4885JAK2 5/4885JAK3 32/4885

“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.