Sugi Predict

Sugi Predict / Compounds / SCHEMBL4119028

SCHEMBL4119028

SCHEMBL4119028

CO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4D Q6B0I6 3/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ PIM1 P11309 3/20 0.34
▸ PIM3 Q86V86 3/20 0.34
▸ PIM2 Q9P1W9 3/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL15109516 0.92 EIF2AK4 (0.39) KDM4DEIF2AK4MAPTKMT2AJAK2
SCHEMBL13456885 0.92 EIF2AK4 (0.39) KDM4DEIF2AK4MAPTKMT2AJAK2
SCHEMBL4126378 0.89 EIF2AK4 (0.34) KDM4DEIF2AK4MAPTJAK2JAK1
SCHEMBL11912154 0.89 EIF2AK4 (0.46) KDM4DEIF2AK4MAPTJAK2JAK1
SCHEMBL1710241 0.89 CKS1B (0.37) KDM4DEIF2AK4MAPTKMT2AJAK2
SCHEMBL30628501 0.89 EIF2AK4 (0.46) KDM4DEIF2AK4MAPTJAK2JAK1
SCHEMBL2832654 0.89 EIF2AK4 (0.46) KDM4DEIF2AK4MAPTJAK2JAK1
SCHEMBL15932912 0.89 EIF2AK4 (0.46) KDM4DEIF2AK4MAPTJAK2JAK1
SCHEMBL2832651 0.89 EIF2AK4 (0.46) KDM4DEIF2AK4MAPTJAK2JAK1
SCHEMBL11912147 0.89 EIF2AK4 (0.46) KDM4DEIF2AK4MAPTJAK2JAK1

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 10 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
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 KDM4D 1961/4885EIF2AK4 368/4885MAPT 978/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4D 1961/4885EIF2AK4 368/4885MAPT 978/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 KDM4D 703/4885EIF2AK4 512/4885MAPT 3442/4885

“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.