SCHEMBL4127124

SCHEMBL4127124

CC(C)(C)OC(=O)NC1CC(CO[Si](C)(C)C(C)(C)C)CN(c2ccncc2N)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.37
DRD2 P14416 2/20 0.35
PDE10A Q9Y233 2/20 0.35
CHRM4 P08173 1/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
AURKB Q96GD4 1/20 0.35
KDM4D Q6B0I6 5/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
DRD3 P35462 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL2279254 0.90 CHRM4 (0.38) CHRM4
SCHEMBL4118969 0.87 MAP4K4 (0.40) MAP4K4DRD2PDE10ACHRM4EIF2AK4
SCHEMBL11912163 0.87 MAP4K4 (0.40) MAP4K4DRD2PDE10ACHRM4EIF2AK4
SCHEMBL4121079 0.86 DRD2 (0.34) DRD2PDE10AEIF2AK4KDM4DJAK3
SCHEMBL4132892 0.86 MAP4K4 (0.40) MAP4K4DRD2PDE10ACHRM4EIF2AK4
SCHEMBL13457022 0.86 MAP4K4 (0.44) MAP4K4DRD2PDE10AEIF2AK4AURKA
SCHEMBL15109521 0.86 MAP4K4 (0.44) MAP4K4DRD2PDE10AEIF2AK4AURKA
SCHEMBL4118784 0.85 MAP4K4 (0.39) MAP4K4PDE10AEIF2AK4AURKAPDPK1
SCHEMBL2836325 0.82 EIF2AK4 (0.48) MAP4K4PDE10AEIF2AK4AURKAPDPK1
SCHEMBL11912156 0.82 EIF2AK4 (0.48) MAP4K4PDE10AEIF2AK4AURKAPDPK1

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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 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-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US 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
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (2 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 MAP4K4 50/4885DRD2 4742/4885PDE10A 1678/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP4K4 85/4885DRD2 4813/4885PDE10A 2668/4885

“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.