SCHEMBL344587

SCHEMBL344587

C=CC[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 2/20 0.31
PIK3CD O00329 1/20 0.31
RECQL P46063 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3714170 0.87
SCHEMBL343240 0.84 NR1H2 (0.33) NR1H2USP2SMN1; SMN2RORCPIK3CD
SCHEMBL23580609 0.79 USP2 (0.35) NR1H2USP2SMN1; SMN2RORCRECQL
SCHEMBL29882268 0.77 RORC (0.39) NR1H2USP2SMN1; SMN2RORCRECQL
SCHEMBL23580121 0.76 NR1H2 (0.40) NR1H2USP2SMN1; SMN2RORCPIK3CD
SCHEMBL3654641 0.76 NR1H2 (0.37) NR1H2USP2SMN1; SMN2RORCMEN1
SCHEMBL23580088 0.76 PDE4A (0.36) NR1H2USP2SMN1; SMN2RORCPIK3CD
SCHEMBL23608680 0.73 USP2 (0.35) NR1H2USP2SMN1; SMN2RORC
SCHEMBL342911 0.73 NR1H2 (0.37) NR1H2USP2SMN1; SMN2RORCPIK3CD
SCHEMBL31663113 0.72 USP2 (0.37) NR1H2USP2SMN1; SMN2RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263632-B2 Aminopyridine derivatives having Aurora A selective inhibitory action VERTEX PHARMACEUTICALS INCOPORATED (US) 2012-09-11 US disclosed
EP-2411012-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD K.K. (JP) 2012-02-01 EP disclosed
US-20120015940-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015940-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-20120015940-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB NR1H2 2813/4885USP2 4061/4885SMN1; SMN2 3427/4885

“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.