SCHEMBL343015

SCHEMBL343015

CC(C)(C)OC(=O)N1CC(CC#N)CC(C2CCCCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.58
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CTSK P43235 2/20 0.37
CTSS P25774 1/20 0.37
NAMPT P43490 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
GPR119 Q8TDV5 4/20 0.36
BACE1 P56817 2/20 0.36
CTSD P07339 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL343016 1.00 NR1H2 (0.58) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL10093468 1.00 NR1H2 (0.58) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL343014 1.00 NR1H2 (0.58) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL23956965 0.88 NR1H2 (0.68) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL20937161 0.88 NR1H2 (0.68) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL20936848 0.88 NR1H2 (0.68) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL342925 0.85 NR1H2 (0.76) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL342926 0.85 NR1H2 (0.76) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL10093469 0.85 NR1H2 (0.76) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL342927 0.85 NR1H2 (0.76) NR1H2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB NR1H2 3181/4885MEN1 1574/4885ALDH1A1 1614/4885

“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.