SCHEMBL343549

SCHEMBL343549

CC(C)(C)OC(=O)N1C[C@@H](COS(C)(=O)=O)C[C@@H](C2CCCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.55
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
EPHX1 P07099 1/20 0.38
GPR119 Q8TDV5 6/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
SCN9A Q15858 1/20 0.37
NR1H3 Q13133 1/20 0.36
NAMPT P43490 1/20 0.35
PDE4B Q07343 1/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 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
SCHEMBL10093467 1.00 NR1H2 (0.55) NR1H2JAK2JAK1EPHX1GPR119
SCHEMBL343551 1.00 NR1H2 (0.55) NR1H2JAK2JAK1EPHX1GPR119
SCHEMBL343550 1.00 NR1H2 (0.55) NR1H2JAK2JAK1EPHX1GPR119
SCHEMBL371676 0.89 NR1H2 (0.65) NR1H2JAK2JAK1GPR119NAMPT
SCHEMBL1225473 0.89 NR1H2 (0.65) NR1H2JAK2JAK1GPR119NAMPT
SCHEMBL903879 0.89 NR1H2 (0.65) NR1H2JAK2JAK1GPR119NAMPT
SCHEMBL15755272 0.88 NR1H2 (0.60) NR1H2JAK2JAK1GPR119MEN1
SCHEMBL445759 0.84 NR1H2 (0.51) NR1H2GPR119SCN9ANAMPT
SCHEMBL342926 0.83 NR1H2 (0.76) NR1H2JAK2JAK1EPHX1GPR119
SCHEMBL10093469 0.83 NR1H2 (0.76) NR1H2JAK2JAK1EPHX1GPR119

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-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

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 3181/4885JAK2 907/4885JAK1 1033/4885

“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.