Sugi Predict

Sugi Predict / Compounds / SCHEMBL4126328

SCHEMBL4126328

SCHEMBL4126328

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ KDM4D Q6B0I6 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL4120940 1.00 EIF2AK4 (0.36) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL13456885 0.93 EIF2AK4 (0.39) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL15109516 0.93 EIF2AK4 (0.39) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL15883434 0.91 PIM2 (0.36) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL2833146 0.91 PIM2 (0.36) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL2833149 0.91 PIM2 (0.36) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL18430040 0.91 PIM2 (0.36) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL30628492 0.91 PIM2 (0.36) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL2832654 0.90 EIF2AK4 (0.46) EIF2AK4JAK2JAK1KDM4DPDE10A
SCHEMBL11912154 0.90 EIF2AK4 (0.46) EIF2AK4JAK2JAK1KDM4DPDE10A

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 7 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
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-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 — — US 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 (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 EIF2AK4 368/4885JAK2 361/4885JAK1 214/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 EIF2AK4 368/4885JAK2 361/4885JAK1 214/4885

“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.