SCHEMBL24778

SCHEMBL24778

CCOc1ccc(C2CCCN2c2nccn3nc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
JAK3 P52333 7/20 0.45
JAK2 O60674 6/20 0.45
PTK2 Q05397 6/20 0.45
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CDK4 P11802 2/20 0.41
HTT P42858 2/20 0.41
AURKA O14965 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MERTK Q12866 1/20 0.41
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20497 0.88 JAK2 (0.52) JAK3JAK2PTK2CDK4AURKA
SCHEMBL19742 0.85 JAK2 (0.40) MAPTJAK3JAK2PTK2
SCHEMBL20604 0.81 JAK2 (0.50) JAK3JAK2PTK2CDK4AURKA
SCHEMBL19966 0.74 DYRK1A (0.47) JAK3JAK2PTK2
SCHEMBL24265 0.73 JAK2 (0.40) JAK3JAK2PTK2
SCHEMBL21480 0.71 JAK2 (0.61) MAPTJAK3JAK2PTK2CDK4
SCHEMBL21595 0.68 SYK (0.42) JAK3JAK2PTK2
SCHEMBL19982953 0.68 SYK (0.44) JAK3JAK2PTK2EIF2AK4
SCHEMBL15210630 0.68 SYK (0.44) JAK3JAK2PTK2EIF2AK4
SCHEMBL20626 0.68 JAK2 (0.59) JAK3JAK2PTK2

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-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-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
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 MAPT 4687/4885JAK3 32/4885JAK2 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.