SCHEMBL19191

SCHEMBL19191

Cc1cccc(Nc2nc3c(N)nc(CCCN4CCN(C)CC4)cn3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
EGFR P00533 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 3/20 0.40
JAK2 O60674 8/20 0.40
JAK3 P52333 7/20 0.40
PTK2 Q05397 6/20 0.40
POLB P06746 1/20 0.39
SLC29A2 Q14542 1/20 0.39
SLC29A1 Q99808 1/20 0.39
SLC2A1 P11166 1/20 0.39
PDGFRB P09619 1/20 0.38
SRC P12931 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL18860 0.91 MAPT (0.45) MAPTHTTEGFRL3MBTL1POLB
SCHEMBL15206844 0.89 TNK2 (0.41) NOS3NOS1NOS2MAPTHTT
SCHEMBL17908148 0.88 CTSK (0.46) NOS3NOS1NOS2MAPTEGFR
SCHEMBL21784 0.83 SLC2A1 (0.42) MAPTHTTEGFRL3MBTL1USP2
SCHEMBL19884 0.83 MAPT (0.41) MAPTHTTL3MBTL1USP2PTK2
SCHEMBL20002 0.83 SLC2A1 (0.39) NOS3NOS1NOS2MAPTHTT
SCHEMBL21246 0.79 MEN1 (0.48) MAPTHTTPOLBHSD17B10
SCHEMBL19190 0.79 MAPT (0.44) NOS3NOS1NOS2MAPTHTT
SCHEMBL19974 0.78 KCNH2 (0.47) EGFRUSP2JAK2JAK3PTK2
SCHEMBL24033 0.73 EGFR (0.51) EGFRJAK2JAK3PTK2SRC

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 NOS3 269/4885NOS1 180/4885NOS2 182/4885

“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.