Sugi Predict

Sugi Predict / Compounds / SCHEMBL4131470

SCHEMBL4131470

SCHEMBL4131470

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 2/20 0.40
▸ PIM2 Q9P1W9 2/20 0.40
▸ MAP4K4 O95819 2/20 0.39
▸ AURKA O14965 4/20 0.38
▸ PDPK1 O15530 4/20 0.38
▸ AURKB Q96GD4 4/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ PIK3CD O00329 1/20 0.35

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
SCHEMBL4132786 0.89 MAP4K4 (0.41) PIM1PIM3PIM2MAP4K4AURKA
SCHEMBL13457022 0.89 MAP4K4 (0.44) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL15109521 0.89 MAP4K4 (0.44) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL11899191 0.87 PIM2 (0.42) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL4118969 0.87 MAP4K4 (0.40) PIM1PIM3PIM2MAP4K4AURKA
SCHEMBL11912163 0.87 MAP4K4 (0.40) PIM1PIM3PIM2MAP4K4AURKA
SCHEMBL4118784 0.86 MAP4K4 (0.39) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL11912156 0.85 EIF2AK4 (0.48) PIM1PIM3PIM2MAP4K4AURKA
SCHEMBL11912148 0.85 EIF2AK4 (0.48) PIM1PIM3PIM2MAP4K4AURKA
SCHEMBL2836325 0.85 EIF2AK4 (0.48) PIM1PIM3PIM2MAP4K4AURKA

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 9 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
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

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 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885

“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.