SCHEMBL11907600

SCHEMBL11907600

CC(C)(C)OC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1.O=C1C2=CC=C1C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
KCNA3 P22001 1/20 0.43
DRD2 P14416 6/20 0.43
DRD3 P35462 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL3955951 0.91 CKS1B (0.52) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL11908959 0.90 DPP4 (0.47) PIM1PIM3PIM2DRD2DRD3
SCHEMBL14206795 0.87 CKS1B (0.48) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL13495900 0.86 PIM1 (0.56) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL14328884 0.86 PIM1 (0.56) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL13156658 0.80 ALDH1A1 (0.53) PIM1PIM3PIM2DRD2DRD3
SCHEMBL11908583 0.80 ALDH1A1 (0.53) PIM1PIM3PIM2DRD2DRD3
SCHEMBL9984496 0.78 PIM1 (0.44) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL7711275 0.78 NPY1R (0.54) DRD2DRD3HTTKMT2AHSD11B1
SCHEMBL4555192 0.78 DRD2 (0.48) PIM1PIM3PIM2CKS1BSKP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE 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.