SCHEMBL4132786

SCHEMBL4132786

CO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2ccncc2N)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.41
AURKA O14965 4/20 0.40
PDPK1 O15530 4/20 0.40
AURKB Q96GD4 4/20 0.40
KDM4D Q6B0I6 2/20 0.38
PDE10A Q9Y233 2/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
EPHX2 P34913 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
SCHEMBL13457022 0.92 MAP4K4 (0.44) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL15109521 0.92 MAP4K4 (0.44) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL4131470 0.89 PIM1 (0.40) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL4118784 0.89 MAP4K4 (0.39) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL11912148 0.88 EIF2AK4 (0.48) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL2836323 0.88 EIF2AK4 (0.48) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL1710215 0.88 MAP4K4 (0.42) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL2836325 0.88 EIF2AK4 (0.48) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL11912156 0.88 EIF2AK4 (0.48) MAP4K4AURKAPDPK1AURKBKDM4D
SCHEMBL15932916 0.88 EIF2AK4 (0.48) MAP4K4AURKAPDPK1AURKBKDM4D

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 12 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-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
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-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
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 MAP4K4 50/4885AURKA 178/4885PDPK1 44/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP4K4 50/4885AURKA 178/4885PDPK1 44/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 MAP4K4 105/4885AURKA 677/4885PDPK1 70/4885

“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.