SCHEMBL19884

SCHEMBL19884

COCCCc1cn2nc(Nc3cccc(C)c3)nc2c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 2/20 0.41
SLC2A1 P11166 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOD1 Q9Y239 1/20 0.39
NFKB1 P19838 1/20 0.37
VSIR Q9H7M9 1/20 0.36
USP2 O75604 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL20644 0.89 KCNH3 (0.44) MAPTUSP2CYP1A2CYP3A4CYP2C9
SCHEMBL19908 0.87 MAPT (0.44) MAPTRAB9ALMNASMN1; SMN2KDM4E
SCHEMBL21784 0.86 SLC2A1 (0.42) MAPTTP53SLC2A1NPC1RAB9A
SCHEMBL20002 0.86 SLC2A1 (0.39) MAPTTP53SLC2A1NPC1RAB9A
SCHEMBL19191 0.83 NOS3 (0.44) MAPTSLC2A1USP2HTTHSD17B10
SCHEMBL18860 0.81 MAPT (0.45) MAPTTP53NPC1RAB9ALMNA
SCHEMBL19883 0.77 TP53 (0.42) MAPTTP53SLC2A1NPC1RAB9A
SCHEMBL15207754 0.75 KDR (0.34) MAPTSYKADORA2A
SCHEMBL22265 0.75 NOS1 (0.44) SYK
SCHEMBL19498 0.74 TNK2 (0.41) NPC1RAB9AALDH1A1PTK2L3MBTL1

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 MAPT 4687/4885TP53 482/4885SLC2A1 4021/4885

“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.