SCHEMBL20941

SCHEMBL20941

COc1cc(Nc2nc3c(-c4cccc(C(=O)NCCCN(C)C)c4)nccn3n2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.51
PTK2 Q05397 5/20 0.51
PIK3CD O00329 1/20 0.50
SYK P43405 2/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PDE4B Q07343 1/20 0.42
SRC P12931 1/20 0.41
CHUK O15111 1/20 0.41
INSR P06213 1/20 0.41
MAPK8 P45983 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
IGF1R P08069 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL15207564 0.95 PTK2 (0.50) FYNPTK2PIK3CDSYKJAK2
SCHEMBL15208070 0.90 SYK (0.50) FYNPTK2PIK3CDSYKPDE4B
SCHEMBL20549 0.85 SYK (0.49) FYNPTK2SYKJAK2MAPK8
SCHEMBL20535 0.83 SYK (0.48) PTK2SYKJAK2JAK3
SCHEMBL20964 0.82 JAK2 (0.44) PTK2SYKJAK2JAK3
SCHEMBL13535989 0.78 JAK2 (0.59) FYNPTK2JAK2JAK3SRC
SCHEMBL19847 0.78 GAA (0.48) FYNPTK2SYKJAK2JAK3
SCHEMBL19738 0.77 KDR (0.53) PTK2SYKJAK2JAK3
SCHEMBL21544 0.76 JAK2 (0.46) PTK2SYKJAK2JAK3
SCHEMBL24392 0.75 ZAP70 (0.42) PTK2SYKJAK2JAK3RAD52

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
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-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
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 FYN 31/4885PTK2 367/4885PIK3CD 494/4885

“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.