SCHEMBL4434433

SCHEMBL4434433

CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 8/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
CTPS1 P17812 1/20 0.49
GAA P10253 1/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4439304 0.90 POLB (0.53) POLBSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL4439259 0.88 POLB (0.56) POLBSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL14334379 0.87 POLB (0.55) POLBSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL4554755 0.86 POLB (0.54) POLBSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL3955951 0.85 CKS1B (0.52) POLBLMNAMAPTMAPK1CKS1B
SCHEMBL4436034 0.84 NPC1 (0.56) POLBSMN1; SMN2MAPTKDM4EGAA
SCHEMBL4433773 0.84 MAPT (0.50) POLBSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL27775873 0.84 POLB (0.50) POLBSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL4443707 0.83 MAPT (0.53) POLBMAPTMAPK1CTPS1CKS1B
SCHEMBL4445168 0.83 MAPK1 (0.58) POLBSMN1; SMN2LMNAMAPTKDM4E

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 13 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
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-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 POLB 2606/4885SMN1; SMN2 2557/4885LMNA 2380/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 POLB 2606/4885SMN1; SMN2 2557/4885LMNA 2380/4885

“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.