SCHEMBL20964

SCHEMBL20964

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
JAK3 P52333 3/20 0.44
MAP4K4 O95819 1/20 0.41
PTK2 Q05397 8/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 5/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ROCK1 Q13464 1/20 0.37

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
SCHEMBL15207265 0.89 MAP4K4 (0.42) JAK2JAK3MAP4K4FLT1FLT4
SCHEMBL20535 0.85 SYK (0.48) JAK2JAK3PTK2FLT1FLT4
SCHEMBL15207564 0.83 PTK2 (0.50) JAK2JAK3PTK2SYK
SCHEMBL20941 0.82 FYN (0.51) JAK2JAK3PTK2SYK
SCHEMBL19847 0.80 GAA (0.48) JAK2JAK3PTK2FLT1FLT4
SCHEMBL19738 0.79 KDR (0.53) JAK2JAK3PTK2FLT1FLT4
SCHEMBL21544 0.78 JAK2 (0.46) JAK2JAK3PTK2FLT1FLT4
SCHEMBL19799 0.77 JAK2 (0.43) JAK2JAK3PTK2FLT1FLT4
SCHEMBL20985 0.77 ZAP70 (0.48) JAK2JAK3PTK2SYK
SCHEMBL21584 0.76 FLT1 (0.44) JAK2JAK3PTK2FLT1FLT4

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 9 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-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
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 JAK2 5/4885JAK3 32/4885MAP4K4 891/4885

“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.