SCHEMBL24502

SCHEMBL24502

FC(F)(F)c1cccc(Nc2nc3c(NCCCN4CCOCC4)nccn3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
EGFR P00533 3/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.44
MTOR P42345 1/20 0.44
SMG1 Q96Q15 1/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL24074 0.91 JAK2 (0.48) JAK2JAK3PTK2EGFRUSP2
SCHEMBL23085 0.87 EGFR (0.53) JAK2JAK3PTK2EGFRGSK3A
SCHEMBL23505 0.87 KMT2A (0.53) JAK2JAK3PTK2USP2SMN1; SMN2
SCHEMBL24321 0.82 CDK1 (0.55) JAK2JAK3PTK2LMNAMAPT
SCHEMBL15207316 0.82 KDM4E (0.44) JAK2JAK3PTK2LMNAMAPT
SCHEMBL15207975 0.82 SYK (0.46) KCNH2LCKCHEK1
SCHEMBL23523 0.82 LMNA (0.48) JAK2JAK3PTK2EGFRLMNA
SCHEMBL23696 0.80 AURKA (0.52) JAK2JAK3PTK2LMNAMAPT
SCHEMBL23858 0.79 POLB (0.45) JAK2JAK3PTK2USP2SMN1; SMN2
SCHEMBL24033 0.78 EGFR (0.51) JAK2JAK3PTK2EGFRLCK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US 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
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 SLC6A2 4517/4885HTR2A 873/4885OPRK1 2396/4885

“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.