SCHEMBL19540

SCHEMBL19540

FC(F)Oc1ccc(Nc2nc3c(-c4cccnc4)nccn3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
JAK3 P52333 7/20 0.44
PTK2 Q05397 6/20 0.44
AURKA O14965 4/20 0.43
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
ROCK1 Q13464 1/20 0.38
SYK P43405 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
LMNA P02545 1/20 0.38
ACVR1 Q04771 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 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
SCHEMBL20904 0.91 ROCK1 (0.39) JAK2JAK3PTK2AURKAGSK3A
SCHEMBL19845 0.86 AURKA (0.58) JAK2JAK3PTK2AURKALMNA
SCHEMBL20515 0.86 SYK (0.39) JAK2JAK3PTK2GSK3AGSK3B
SCHEMBL20993 0.86 ROCK1 (0.42) JAK2JAK3PTK2GSK3AGSK3B
SCHEMBL20546 0.86 JAK2 (0.44) JAK2JAK3PTK2AURKAGSK3A
SCHEMBL19605 0.84 NPC1 (0.52) JAK2JAK3PTK2AURKASYK
SCHEMBL15206858 0.84 JAK2 (0.48) JAK2JAK3PTK2SYKEIF2AK4
SCHEMBL15207680 0.84 CHEK1 (0.36) JAK2JAK3PTK2GSK3AGSK3B
SCHEMBL15207931 0.84 SYK (0.37) JAK2JAK3PTK2AURKAGSK3A
SCHEMBL20559 0.84 SYK (0.38) JAK2JAK3PTK2GSK3AGSK3B

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 5/4885JAK3 32/4885PTK2 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.