SCHEMBL21537

SCHEMBL21537

COc1ccc(Nc2nc3c(N(C)C4CCOCC4)nccn3n2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.43
JAK2 O60674 14/20 0.42
PTK2 Q05397 11/20 0.42
JAK3 P52333 10/20 0.42
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
FLT3 P36888 2/20 0.39
AURKA O14965 1/20 0.39
KIT P10721 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ULK1 O75385 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 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
SCHEMBL20405 0.86 JAK2 (0.42) TTKJAK2PTK2JAK3
SCHEMBL15216777 0.84 JAK2 (0.49) JAK2PTK2JAK3FLT3
SCHEMBL15210525 0.79 SYK (0.45) JAK2PTK2JAK3SYK
SCHEMBL16394337 0.75 FLT3 (0.48) JAK2PTK2JAK3SYKFLT3
SCHEMBL15208269 0.72 TP53 (0.46) JAK2PTK2JAK3SYKFLT3
SCHEMBL21097 0.70 SYK (0.44) JAK2SYKFLT3AURKAKIT
SCHEMBL15210467 0.70 SYK (0.58) TTKJAK2SYKFLT3AURKA
SCHEMBL15210790 0.70 SYK (0.46) JAK2PTK2JAK3SYK
SCHEMBL21816 0.69 CHEK1 (0.49) JAK2PTK2JAK3ZAP70SYK
SCHEMBL15210990 0.69 SYK (0.46) JAK2PTK2JAK3SYK

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 11 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
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
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 TTK 866/4885JAK2 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.