SCHEMBL19973

SCHEMBL19973

Nc1ncc(CCCN2CCOCC2)n2nc(Nc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV4 Q9HBA0 6/20 0.46
KCNH2 Q12809 2/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45
EPHX2 P34913 1/20 0.45
EGFR P00533 2/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
LMNA P02545 1/20 0.42
CTSK P43235 1/20 0.42
MTOR P42345 1/20 0.42
SMG1 Q96Q15 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL17908147 0.91 IDH2 (0.46) USP2SMN1; SMN2KCNH2EGFRJAK2
SCHEMBL18859 0.87 MAPT (0.47) USP2SMN1; SMN2EGFRLMNAMAPT
SCHEMBL21245 0.87 MEN1 (0.50) LMNAKMT2AMAPTPOLB
SCHEMBL20261 0.83 KDM4E (0.47) SMN1; SMN2LMNAMAPT
SCHEMBL19907 0.82 MAPT (0.46) LMNAMAPTGSK3B
SCHEMBL19614 0.82 IDH2 (0.46) LMNAMAPT
SCHEMBL19974 0.81 KCNH2 (0.47) USP2SMN1; SMN2TRPV4KCNH2SLC6A2
SCHEMBL19190 0.78 MAPT (0.44) USP2SMN1; SMN2EGFRJAK2JAK3
SCHEMBL15206842 0.77 TNK2 (0.47) SMN1; SMN2EGFRJAK2JAK3MAPT
SCHEMBL24502 0.73 SLC6A2 (0.51) USP2SMN1; SMN2TRPV4KCNH2SLC6A2

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 USP2 2413/4885SMN1; SMN2 4628/4885TRPV4 2297/4885

“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.