SCHEMBL1710227

SCHEMBL1710227

COC1CC(NC(=O)OC(C)(C)C)CN(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HSD11B1 P28845 9/20 0.44
CYP2C9 P11712 1/20 0.44
CTSK P43235 2/20 0.43
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.36

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
SCHEMBL21178208 1.00 BTK (0.46) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL1710470 0.88 BTK (0.53) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL1710473 0.83 BTK (0.49) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL25419513 0.83 BTK (0.41) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL2691690 0.83 BTK (0.41) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL21178468 0.83 BTK (0.48) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL20745463 0.83 BTK (0.48) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL20498700 0.83 BTK (0.48) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL24087333 0.83 CTSK (0.45) BTKCA1CA2HSD11B1CYP2C9
SCHEMBL16765432 0.83 BTK (0.48) BTKCA1CA2HSD11B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2344473-B1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2014-04-16 EP disclosed
EP-2262802-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-10-23 EP disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2344473-A1 HETEROCYCLIC PIM-KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
EP-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US disclosed
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 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 (3 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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 BTK 109/4885CA1 4734/4885CA2 2520/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BTK 109/4885CA1 4734/4885CA2 2520/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 BTK 77/4885CA1 2757/4885CA2 3688/4885

“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.