SCHEMBL20671

SCHEMBL20671

COc1cc(Nc2nc3c(-c4cccc(OCCN)c4)nccn3n2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.43
PTK2 Q05397 12/20 0.43
JAK3 P52333 7/20 0.43
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39
PRKCD Q05655 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
KMT2A Q03164 2/20 0.38
AXL P30530 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
SCHEMBL15206946 0.95 JAK2 (0.42) JAK2PTK2JAK3FLT1FLT4
SCHEMBL15207482 0.90 SYK (0.40) JAK2PTK2JAK3FLT1FLT4
SCHEMBL21544 0.87 JAK2 (0.46) JAK2PTK2JAK3FLT1FLT4
SCHEMBL15206747 0.85 NOS3 (0.39) JAK2PTK2JAK3FLT1FLT4
SCHEMBL19738 0.84 KDR (0.53) JAK2PTK2JAK3FLT1FLT4
SCHEMBL21584 0.84 FLT1 (0.44) JAK2PTK2JAK3FLT1FLT4
SCHEMBL19847 0.84 GAA (0.48) JAK2PTK2JAK3FLT1FLT4
SCHEMBL20535 0.81 SYK (0.48) JAK2PTK2JAK3FLT1FLT4
SCHEMBL20859 0.81 JAK2 (0.48) JAK2PTK2JAK3FLT1FLT4
SCHEMBL19086 0.81 JAK2 (0.47) JAK2PTK2JAK3FLT1FLT4

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 JAK2 5/4885PTK2 367/4885JAK3 32/4885

“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.