SCHEMBL20131

SCHEMBL20131

Cc1cccc(Nc2nc3c(N)nc(C4CCCCC4N)cn3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
SYK P43405 8/20 0.39
MAPK1 P28482 4/20 0.39
MAPK3 P27361 2/20 0.39
KCNH2 Q12809 2/20 0.39
AURKB Q96GD4 2/20 0.39
GP6 Q9HCN6 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
FER P16591 5/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 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
SCHEMBL15207704 0.90 SYK (0.39) SYKJAK2CDK1SRCCDK2
SCHEMBL19372 0.88 JAK2 (0.38) MEN1KMT2AJAK2FGFR1SRC
SCHEMBL15207927 0.86 IDH2 (0.46) LMNAMAPTJAK2CDK1JAK3
SCHEMBL21196 0.81 SYK (0.39) SYKLCKCDK1
SCHEMBL20130 0.78 SYK (0.45) HTTSYKMAPK1MAPK3KCNH2
SCHEMBL21784 0.73 SLC2A1 (0.42) HTTLMNASMN1; SMN2SLC2A1MAPT
SCHEMBL24615 0.72 SYK (0.53) SYKMAPK1MAPK3KCNH2AURKB
SCHEMBL20002 0.69 SLC2A1 (0.39) HTTSYKLMNASMN1; SMN2SLC2A1
SCHEMBL19884 0.69 MAPT (0.41) HTTSYKLMNASMN1; SMN2SLC2A1
SCHEMBL15207702 0.69 SYK (0.41) SYKMAPK1MAPK3KCNH2AURKB

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 6 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
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-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 HTT 4261/4885SYK 1/4885MAPK1 353/4885

“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.