SCHEMBL24392

SCHEMBL24392

COc1cc(Nc2nc3c(NCCCN(C)C)nccn3n2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.42
SYK P43405 4/20 0.42
KARS1 Q15046 4/20 0.42
JAK2 O60674 7/20 0.41
PTK2 Q05397 7/20 0.41
TGFBR1 P36897 1/20 0.38
KMT2A Q03164 2/20 0.38
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
FLT3 P36888 1/20 0.36
CHEK1 O14757 1/20 0.36
JAK3 P52333 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL23275 0.88 ZAP70 (0.44) ZAP70SYKKARS1JAK2PTK2
SCHEMBL23494 0.87 SYK (0.44) SYKJAK2PTK2TGFBR1KMT2A
SCHEMBL23412 0.85 ZAP70 (0.53) ZAP70SYKKARS1JAK2PTK2
SCHEMBL23403 0.83 TNK2 (0.44) JAK2PTK2KMT2ABRD4ATAD2
SCHEMBL24403 0.83 JAK2 (0.44) ZAP70SYKJAK2PTK2BRD4
SCHEMBL23858 0.81 POLB (0.45) SYKJAK2PTK2KMT2AFLT3
SCHEMBL24685 0.81 EGFR (0.44) SYKJAK2PTK2TGFBR1KMT2A
SCHEMBL20561 0.79 ZAP70 (0.54) ZAP70SYKKARS1JAK2PTK2
SCHEMBL15207975 0.78 SYK (0.46) SYKCHEK1RAD52
SCHEMBL20247 0.77 FLT1 (0.41) ZAP70SYKKARS1JAK2PTK2

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 ZAP70 3/4885SYK 1/4885KARS1 483/4885

“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.