SCHEMBL19883

SCHEMBL19883

COCCCc1cnc(N)c2nc(Nc3cccc(C)c3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SLC2A1 P11166 1/20 0.40
NOD1 Q9Y239 1/20 0.40
SYK P43405 4/20 0.40
NFKB1 P19838 1/20 0.39
PTK2 Q05397 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
USP2 O75604 1/20 0.37
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
AURKA O14965 1/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 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
SCHEMBL20643 0.89 KCNH3 (0.46) TLR7CYP1A2CYP3A4CYP2C9CLK4
SCHEMBL19907 0.87 MAPT (0.46) MAPTSYKLMNACDK2
SCHEMBL21783 0.87 AURKA (0.43) TP53MAPTNPC1RAB9ASLC2A1
SCHEMBL20001 0.86 TNK2 (0.41) TP53MAPTNPC1RAB9ASLC2A1
SCHEMBL19190 0.83 MAPT (0.44) MAPTNPC1RAB9ASLC2A1NOD1
SCHEMBL18859 0.82 MAPT (0.47) TP53MAPTNPC1RAB9AUSP2
SCHEMBL19884 0.77 MAPT (0.41) TP53MAPTNPC1RAB9ASLC2A1
SCHEMBL15207753 0.76 SYK (0.36) NPC1RAB9ASYKJAK2TSHR
SCHEMBL22264 0.76 NOS1 (0.38) SYKSRCCDK2ZAP70
SCHEMBL19497 0.74 TNK2 (0.46) NPC1RAB9ACYP1A2CYP3A4CYP2C9

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 8 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
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 TP53 482/4885MAPT 4687/4885TLR7 227/4885

“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.