SCHEMBL21245

SCHEMBL21245

Nc1ncc(CCCN2CCOCC2)n2nc(Nc3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TNK2 Q07912 2/20 0.48
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
FLT3 P36888 3/20 0.46
RAB9A P51151 1/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 3/20 0.41
MERTK Q12866 2/20 0.40
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
KIT P10721 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL15206842 0.89 TNK2 (0.47) TNK2FLT3MAPTALDH1A1SIGMAR1
SCHEMBL18859 0.89 MAPT (0.47) TNK2FLT3RAB9AMAPTALDH1A1
SCHEMBL19973 0.87 USP2 (0.47) KMT2AMAPTPOLBLMNA
SCHEMBL15207868 0.80 PLK1 (0.41) MEN1KMT2AMAPK1FLT3RAB9A
SCHEMBL19190 0.79 MAPT (0.44) TNK2HTTRAB9AMAPTALDH1A1
SCHEMBL20643 0.79 KCNH3 (0.46) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL19497 0.79 TNK2 (0.46) MEN1KMT2ATNK2RAB9AALDH1A1
SCHEMBL21246 0.77 MEN1 (0.48) MEN1KMT2ATNK2HTTMAPK1
SCHEMBL17908147 0.77 IDH2 (0.46) MAPTLMNAKDM4E
SCHEMBL4701225 0.70 TNK2 (0.49) MEN1KMT2ATNK2HTTMAPK1

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 6 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
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

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 MEN1 4713/4885KMT2A 884/4885TNK2 539/4885

“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.