SCHEMBL4437154

SCHEMBL4437154

CC(C)(C)OC(=O)NC1CCCN(c2ccc(C(=O)C3CC3)cc2[N+](=O)[O-])C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MAPT P10636 8/20 0.48
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTPS1 P17812 1/20 0.45
F10 P00742 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
MAP4K4 O95819 2/20 0.43

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
SCHEMBL28782595 0.91 POLB (0.48) POLBMAPTALDH1A1TDP1HTT
SCHEMBL4436140 0.91 POLB (0.54) POLBMAPTJAK3BTKALDH1A1
SCHEMBL4554755 0.90 POLB (0.54) POLBMAPTALDH1A1TDP1HTT
SCHEMBL4439304 0.88 POLB (0.53) POLBMAPTALDH1A1TDP1HTT
SCHEMBL4434482 0.87 POLB (0.48) POLBMAPTJAK3BTKALDH1A1
SCHEMBL28913476 0.86 MAPT (0.49) POLBMAPTJAK3BTKALDH1A1
SCHEMBL4436306 0.86 MAPK1 (0.55) POLBMAPTJAK3BTKALDH1A1
SCHEMBL28913479 0.86 MAPT (0.49) POLBMAPTJAK3BTKALDH1A1
SCHEMBL4439333 0.85 JAK3 (0.52) POLBMAPTJAK3BTKALDH1A1
SCHEMBL16003934 0.85 F10 (0.46) POLBMAPTJAK3BTKALDH1A1

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 14 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
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 2606/4885MAPT 4106/4885JAK3 165/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 POLB 2606/4885MAPT 4106/4885JAK3 165/4885

“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.