SCHEMBL4132725

SCHEMBL4132725

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
MAPT P10636 2/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
DPP4 P27487 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK1 P23458 4/20 0.35
JAK2 O60674 2/20 0.35
DRD3 P35462 1/20 0.34
KDM4D Q6B0I6 3/20 0.34
PDE10A Q9Y233 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 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
SCHEMBL11912162 1.00 DRD2 (0.37) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL4132894 0.92 DRD2 (0.37) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL15109516 0.92 EIF2AK4 (0.39) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL13456885 0.92 EIF2AK4 (0.39) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL1710241 0.90 CKS1B (0.37) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL4121079 0.88 DRD2 (0.34) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL11912154 0.88 EIF2AK4 (0.46) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL2832654 0.88 EIF2AK4 (0.46) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL15932912 0.88 EIF2AK4 (0.46) DRD2EIF2AK4CKS1BSKP1SKP2
SCHEMBL11912147 0.88 EIF2AK4 (0.46) DRD2EIF2AK4CKS1BSKP1SKP2

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 5 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-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

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 368/4885CKS1B 216/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 DRD2 4742/4885EIF2AK4 368/4885CKS1B 216/4885

“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.