SCHEMBL20394

SCHEMBL20394

Cc1c(N)cccc1-c1nccn2nc(Nc3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.57
JAK2 O60674 13/20 0.57
PTK2 Q05397 12/20 0.57
KIT P10721 2/20 0.47
FLT3 P36888 2/20 0.47
PLK4 O00444 2/20 0.46
AXL P30530 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SYK P43405 2/20 0.44
CD63 P08962 1/20 0.44
CDC7 O00311 1/20 0.43
CIT O14578 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 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
SCHEMBL20114 0.83 JAK2 (0.66) JAK3JAK2PTK2KITFLT3
SCHEMBL24372 0.80 JAK2 (0.55) JAK3JAK2PTK2TTKEPHB4
SCHEMBL21516 0.80 BTK (0.62) JAK3JAK2FLT3MAPTINSR
SCHEMBL21597 0.80 JAK2 (0.59) JAK3JAK2PTK2AURKAMAPK8
SCHEMBL19433 0.79 JAK2 (0.61) JAK3JAK2PTK2KITFLT3
SCHEMBL20504 0.78 JAK2 (0.74) JAK3JAK2PTK2AURKAMAPK8
SCHEMBL20626 0.78 JAK2 (0.59) JAK3JAK2PTK2JAK1
SCHEMBL20850 0.78 RAF1 (0.57) LCKCSF1RKDR
SCHEMBL22473 0.78 JAK2 (0.49) JAK3JAK2PTK2EGFRFYN
SCHEMBL20318 0.78 MAPT (0.59) JAK3JAK2PTK2TP53MAPT

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 JAK3 32/4885JAK2 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.