SCHEMBL2575671

SCHEMBL2575671

COC1CCN(c2ccc(N)c(N)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
LGMN Q99538 4/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
PTK2B Q14289 1/20 0.42
S100B P04271 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP4K4 O95819 1/20 0.41
RAD52 P43351 1/20 0.40

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
SCHEMBL27884820 0.82 NOTUM (0.40) ADORA2ALGMNGAAMAPTMAPK1
SCHEMBL12813352 0.81 GAA (0.51) LGMNGAAMAPTMAPK1HTT
SCHEMBL2450915 0.81 MAPT (0.53) ADORA2AGAAMAPTMAPK1HTT
SCHEMBL14892958 0.80 LMNA (0.66) MAPTMAPK1RECQLLMNAMEN1
SCHEMBL10206204 0.79 L3MBTL3 (0.42) ADORA2AMAPTKDM4EALDH1A1TDP1
SCHEMBL14893082 0.78 ALDH1A1 (0.42) ADORA2AGAAMAPTKDM4ERECQL
SCHEMBL4856770 0.78 MAP4K4 (0.39) ADORA2ALGMNGAAMAPTMAPK1
SCHEMBL14892234 0.77 CDK1 (0.48) LGMNGAAMAPTMAPK1HTT
SCHEMBL22289244 0.77 USP30 (0.49) NTSR1
SCHEMBL22289245 0.77 USP30 (0.49) NTSR1

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
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
EP-2556058-A1 RADIOPROTECTOR COMPOUNDS AND METHODS Peter MacCallum Cancer Institute (AU) 2013-02-13 EP disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 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-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 ADORA2A 1032/4885LGMN 3401/4885GAA 4803/4885

“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.