SCHEMBL20334

SCHEMBL20334

CCOc1ccc(Nc2nc3c(-c4cncnc4)nccn3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.44
JAK2 O60674 5/20 0.43
JAK3 P52333 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NFKB1 P19838 1/20 0.43
KDR P35968 3/20 0.42
PTK2 Q05397 4/20 0.41
EIF2AK4 Q9P2K8 1/20 0.39
JAK1 P23458 1/20 0.39
AURKA O14965 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL19605 0.91 NPC1 (0.52) SYKJAK2JAK3MAPTNPC1
SCHEMBL20004 0.89 JAK2 (0.52) JAK2JAK3MAPTKDM4EPTK2
SCHEMBL30790 0.85 JAK2 (0.39) SYKJAK2JAK3MAPTNPC1
SCHEMBL15207187 0.85 SYK (0.41) SYKJAK2JAK3MAPTNPC1
SCHEMBL19998 0.85 MAPT (0.43) SYKJAK2JAK3MAPTNPC1
SCHEMBL20904 0.84 ROCK1 (0.39) SYKJAK2JAK3PTK2EIF2AK4
SCHEMBL15207000 0.84 ABL1 (0.42) JAK2JAK3PTK2
SCHEMBL20987 0.84 JAK2 (0.47) JAK2JAK3PTK2
SCHEMBL31462 0.84 JAK2 (0.49) SYKJAK2JAK3KDM4ENFKB1
SCHEMBL15208115 0.83 AURKA (0.46) SYKJAK2JAK3MAPTMEN1

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 SYK 1/4885JAK2 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.