SCHEMBL22320

SCHEMBL22320

COc1ccc(Nc2nc3c(-c4cccc(O)c4)nccn3n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.56
JAK2 O60674 6/20 0.51
PTK2 Q05397 5/20 0.51
JAK3 P52333 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43

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
SCHEMBL19847 0.87 GAA (0.48) FYNJAK2PTK2JAK3GAA
SCHEMBL20406 0.86 FYN (0.49) FYNJAK2PTK2JAK3PIK3CD
SCHEMBL19518 0.86 JAK2 (0.56) FYNJAK2PTK2JAK3PIK3CD
SCHEMBL20347 0.84 JAK2 (0.48) FYNJAK2PTK2JAK3CYP1A2
SCHEMBL20773 0.84 JAK2 (0.53) FYNJAK2PTK2JAK3PIK3CD
SCHEMBL20276 0.83 JAK2 (0.48) FYNJAK2PTK2JAK3PIK3CD
SCHEMBL21450 0.83 JAK2 (0.52) FYNJAK2PTK2JAK3PIK3CA
SCHEMBL21230 0.82 KDR (0.43) JAK2JAK3GAAMAPTTUBB4A
SCHEMBL20556 0.80 JAK2 (0.50) FYNJAK2PTK2JAK3EGFR
SCHEMBL22473 0.80 JAK2 (0.49) FYNJAK2PTK2JAK3PIK3CD

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 14 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
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
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
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
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 31/4885JAK2 5/4885PTK2 367/4885

“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.