SCHEMBL23505

SCHEMBL23505

c1ccc(Nc2nc3c(NCCCN4CCOCC4)nccn3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 3/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.48
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
FLT3 P36888 2/20 0.46
TNK2 Q07912 1/20 0.46
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL24602 0.89 RAD52 (0.46) POLBRAD52TNK2JAK2JAK3
SCHEMBL23085 0.89 EGFR (0.53) KMT2AMEN1HTTTSHRTP53
SCHEMBL24502 0.87 SLC6A2 (0.51) LMNAPOLBSMN1; SMN2JAK2JAK3
SCHEMBL23523 0.87 LMNA (0.48) KMT2AMEN1MAPK1HTTTP53
SCHEMBL23858 0.84 POLB (0.45) KMT2AMEN1TSHRTP53RAB9A
SCHEMBL24033 0.79 EGFR (0.51) JAK2JAK3PTK2
SCHEMBL25084 0.79 JAK2 (0.44) JAK2JAK3PTK2
SCHEMBL23403 0.79 TNK2 (0.44) KMT2AMEN1MAPK1RAB9AKDM4E
SCHEMBL23499 0.79 KCNH3 (0.55) MAPK1TSHRTP53LMNAJAK2
SCHEMBL24074 0.77 JAK2 (0.48) SMN1; SMN2JAK2JAK3PTK2USP2

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 KMT2A 884/4885MEN1 4713/4885MAPK1 353/4885

“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.