SCHEMBL21246

SCHEMBL21246

Nc1nc(CCCN2CCOCC2)cn2nc(Nc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 3/20 0.48
FLT3 P36888 3/20 0.44
POLB P06746 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
TNK2 Q07912 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 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
SCHEMBL15206844 0.89 TNK2 (0.41) HTTMAPK1SIGMAR1TNK2MAPT
SCHEMBL18860 0.89 MAPT (0.45) HTTFLT3POLBRAB9AMAPT
SCHEMBL19974 0.86 KCNH2 (0.47) KMT2APOLBLMNAGSK3AGSK3B
SCHEMBL15207869 0.79 JAK2 (0.43) MEN1KMT2AHTTMAPK1RAB9A
SCHEMBL19191 0.79 NOS3 (0.44) HTTPOLBMAPTHSD17B10
SCHEMBL19498 0.78 TNK2 (0.41) TNK2RAB9AALDH1A1PKM
SCHEMBL20644 0.78 KCNH3 (0.44) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL21245 0.77 MEN1 (0.50) MEN1KMT2AHTTMAPK1FLT3
SCHEMBL17908148 0.76 CTSK (0.46) MAPTSMN1; SMN2
SCHEMBL23505 0.71 KMT2A (0.53) MEN1KMT2AHTTMAPK1FLT3

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 884/4885HTT 4261/4885

“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.