SCHEMBL19845

SCHEMBL19845

COc1ccc(Nc2nc3c(-c4cccnc4)nccn3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.58
JAK2 O60674 11/20 0.53
JAK3 P52333 9/20 0.53
PTK2 Q05397 7/20 0.53
ACVR1 Q04771 2/20 0.48
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
KDR P35968 1/20 0.45
PLK1 P53350 1/20 0.43

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
SCHEMBL20859 0.90 JAK2 (0.48) AURKAJAK2JAK3PTK2KDR
SCHEMBL20004 0.90 JAK2 (0.52) AURKAJAK2JAK3PTK2GAA
SCHEMBL19605 0.89 NPC1 (0.52) AURKAJAK2JAK3PTK2ACVR1
SCHEMBL19540 0.86 JAK2 (0.44) AURKAJAK2JAK3PTK2ACVR1
SCHEMBL20546 0.86 JAK2 (0.44) AURKAJAK2JAK3PTK2PLK1
SCHEMBL21816 0.86 CHEK1 (0.49) AURKAJAK2JAK3PTK2GAA
SCHEMBL19500 0.86 AURKA (0.53) AURKAJAK2JAK3PTK2GAA
SCHEMBL21119 0.86 JAK2 (0.52) AURKAJAK2JAK3PTK2GAA
SCHEMBL30008 0.85 AURKA (0.55) AURKAJAK2JAK3PTK2GAA
SCHEMBL19931 0.85 JAK2 (0.50) AURKAJAK2JAK3PTK2GAA

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.