SCHEMBL16000511

SCHEMBL16000511

CC(C)NC1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
EPHX2 P34913 3/20 0.58
EPHX1 P07099 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.57
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.53
POLB P06746 1/20 0.52
KDM5A P29375 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51

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
SCHEMBL13866415 0.88 GAA (0.60) GAAEPHX2EPHX1ALDH1A1HTT
SCHEMBL2603252 0.85 GAA (0.64) GAAALDH1A1HTTMAPK1TDP1
SCHEMBL13826473 0.84 CYP3A4 (0.57) GAAEPHX2EPHX1ALDH1A1POLB
SCHEMBL12404035 0.84 GAA (0.57) GAAEPHX2EPHX1ALDH1A1HTT
SCHEMBL12750210 0.84 GAA (0.63) GAAEPHX2EPHX1ALDH1A1HTT
SCHEMBL23573427 0.84 EPHX2 (0.65) GAAEPHX2EPHX1ALDH1A1HTT
SCHEMBL13073616 0.83 ACHE (0.67) GAAALDH1A1HTTMAPK1TDP1
Hydrochloric Acid SCHEMBL6276058 0.83 EPHX1 (0.66) EPHX2EPHX1ALDH1A1POLB
SCHEMBL21183264 0.81 GAA (0.62) GAAEPHX2EPHX1ALDH1A1HTT
SCHEMBL29995238 0.81 GAA (0.62) GAAEPHX2EPHX1ALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 US 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK GAA 1642/4885EPHX2 1213/4885EPHX1 1067/4885

“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.