SCHEMBL24327

SCHEMBL24327

Cc1cc(C)cc(Nc2nc3c(NC4CCCCC4N)nccn3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.56
ZAP70 P43403 3/20 0.56
JAK2 O60674 1/20 0.48
LYN P07948 1/20 0.48
FLT3 P36888 1/20 0.48
CLK1 P49759 5/20 0.44
CLK2 P49760 5/20 0.44
CLK4 Q9HAZ1 5/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CLK3 P49761 1/20 0.44
MAPK3 P27361 2/20 0.44
MAPK1 P28482 2/20 0.44
KCNH2 Q12809 2/20 0.44
AURKB Q96GD4 2/20 0.44
GP6 Q9HCN6 1/20 0.44

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
SCHEMBL24615 0.91 SYK (0.53) SYKJAK2CLK2CLK4CDK1
SCHEMBL15207238 0.87 SYK (0.57) SYKZAP70
SCHEMBL24474 0.85 SYK (0.47) SYKZAP70CLK1CLK2CLK4
SCHEMBL23608 0.80 CDK1 (0.57) SYKZAP70CLK1CLK2CLK4
SCHEMBL23452 0.74 SYK (0.45) SYKZAP70JAK2FLT3CDK1
SCHEMBL19266 0.71 KDR (0.48) SYKZAP70JAK2
SCHEMBL23494 0.69 SYK (0.44) SYKJAK2FLT3MAPK1
SCHEMBL24500 0.69 JAK2 (0.38) SYKZAP70JAK2
SCHEMBL15207704 0.69 SYK (0.39) SYKZAP70JAK2LYNFLT3
SCHEMBL5613000 0.69 KDM4E (0.60) SYKZAP70JAK2CLK2CLK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 SYK 1/4885ZAP70 3/4885JAK2 5/4885

“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.