SCHEMBL4445168

SCHEMBL4445168

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.58
LMNA P02545 4/20 0.58
L3MBTL1 Q9Y468 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 8/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CTPS1 P17812 1/20 0.46
DRD2 P14416 1/20 0.45

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
SCHEMBL4436306 0.89 MAPK1 (0.55) MAPK1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL4433773 0.88 MAPT (0.50) MAPK1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL4443707 0.87 MAPT (0.53) MAPK1ALDH1A1MAPTKMT2AMEN1
SCHEMBL4439259 0.86 POLB (0.56) MAPK1LMNAALDH1A1MAPTKMT2A
SCHEMBL4439231 0.86 MAPT (0.55) MAPK1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL4437146 0.85 MAPT (0.64) MAPK1LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL4442554 0.85 MAPT (0.48) MAPK1LMNAALDH1A1MAPTKMT2A
SCHEMBL14334379 0.85 POLB (0.55) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL14067868 0.85 MAPT (0.47) MAPK1LMNAALDH1A1MAPTKMT2A
SCHEMBL4554755 0.85 POLB (0.54) MAPK1LMNAL3MBTL1ALDH1A1MAPT

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 MAPK1 216/4885LMNA 2380/4885L3MBTL1 746/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPK1 216/4885LMNA 2380/4885L3MBTL1 746/4885

“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.