SCHEMBL24621

SCHEMBL24621

COc1cc(Nc2nc3c(Nc4cccc(C(F)(F)F)c4)nccn3n2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
JAK2 O60674 5/20 0.48
JAK3 P52333 5/20 0.48
APP P05067 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KDR P35968 2/20 0.46
POLB P06746 2/20 0.46
PTK2 Q05397 4/20 0.45
FYN P06241 1/20 0.44
IDH2 P48735 1/20 0.44
GSK3B P49841 1/20 0.44
SRC P12931 1/20 0.43
ZAP70 P43403 1/20 0.43
SYK P43405 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 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
SCHEMBL23984 1.00 MAPT (0.48) MAPTMAPK1LMNAJAK2JAK3
SCHEMBL23696 0.90 AURKA (0.52) MAPTLMNAJAK2JAK3KDM4E
SCHEMBL23674 0.88 IDH2 (0.47) MAPTMAPK1LMNAJAK2JAK3
SCHEMBL24034 0.88 IDH2 (0.47) MAPTMAPK1LMNAJAK2JAK3
SCHEMBL23189 0.87 IDH2 (0.57) LMNAJAK2JAK3ABCG2KDM4E
SCHEMBL24629 0.87 IDH2 (0.57) LMNAJAK2JAK3ABCG2KDM4E
SCHEMBL19828 0.86 LMNA (0.48) MAPTMAPK1LMNAJAK2JAK3
SCHEMBL24622 0.86 IDH2 (0.47) MAPTMAPK1LMNAJAK2JAK3
SCHEMBL15207316 0.80 KDM4E (0.44) MAPTMAPK1LMNAJAK2JAK3
SCHEMBL1851172 0.79 JAK2 (0.65) MAPTMAPK1LMNAJAK2JAK3

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
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
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 MAPT 4687/4885MAPK1 353/4885LMNA 4697/4885

“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.