SCHEMBL19498

SCHEMBL19498

CN(C)CCCc1cn2nc(Nc3ccccc3)nc2c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.41
JAK2 O60674 7/20 0.38
JAK3 P52333 4/20 0.38
PTK2 Q05397 1/20 0.37
LRRK2 Q5S007 2/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DDX3X O00571 1/20 0.33
ILK Q13418 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL20002 0.89 SLC2A1 (0.39) TNK2NPC1RAB9ANOS3NOS1
SCHEMBL22265 0.86 NOS1 (0.44) TNK2NOS3NOS1NOS2
SCHEMBL19615 0.85 IDH2 (0.44) RAB9AALDH1A1
SCHEMBL20644 0.84 KCNH3 (0.44) JAK2JAK3LRRK2L3MBTL1ALDH1A1
SCHEMBL15207869 0.83 JAK2 (0.43) JAK2JAK3PTK2LRRK2NPC1
SCHEMBL15206844 0.81 TNK2 (0.41) TNK2JAK2JAK3PTK2NOS3
SCHEMBL21246 0.78 MEN1 (0.48) TNK2PKMRAB9AALDH1A1
SCHEMBL19497 0.75 TNK2 (0.46) TNK2NPC1PKMRAB9AKLF5
SCHEMBL19884 0.74 MAPT (0.41) PTK2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL21784 0.73 SLC2A1 (0.42) PTK2NPC1RAB9AL3MBTL1

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 TNK2 539/4885JAK2 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.