SCHEMBL4121079

SCHEMBL4121079

CC(C)(C)OC(=O)NC1CC(CO[Si](C)(C)C(C)(C)C)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4D Q6B0I6 5/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31

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
SCHEMBL1710197 0.91 CHRM4 (0.33) KMT2AALDH1A1MAPTLMNAMAPK1
SCHEMBL1710192 0.91 CHRM4 (0.33) KMT2AALDH1A1MAPTLMNAMAPK1
SCHEMBL4132725 0.88 DRD2 (0.37) DRD2EIF2AK4DPP4KDM4DJAK3
SCHEMBL11912162 0.88 DRD2 (0.37) DRD2EIF2AK4DPP4KDM4DJAK3
SCHEMBL4132894 0.87 DRD2 (0.37) DRD2EIF2AK4DPP4KDM4DJAK3
SCHEMBL13456885 0.87 EIF2AK4 (0.39) DRD2EIF2AK4DPP4KDM4DJAK3
SCHEMBL15109516 0.87 EIF2AK4 (0.39) DRD2EIF2AK4DPP4KDM4DJAK3
SCHEMBL4127124 0.86 MAP4K4 (0.37) DRD2EIF2AK4KDM4DJAK3BTK
SCHEMBL4126378 0.86 EIF2AK4 (0.34) DRD2EIF2AK4DPP4KDM4DJAK2
SCHEMBL2832651 0.83 EIF2AK4 (0.46) DRD2EIF2AK4DPP4KDM4DJAK2

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 DRD2 4742/4885EIF2AK4 368/4885DPP4 661/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 DRD2 4813/4885EIF2AK4 401/4885DPP4 1787/4885

“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.