SCHEMBL4432015

SCHEMBL4432015

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)C3CC3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
CTPS1 P17812 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 3/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.48
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GFER P55789 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4436884 0.87 MEN1 (0.63) MAPTALDH1A1LMNACTPS1MAPK1
SCHEMBL4435469 0.85 POLB (0.56) MAPTALDH1A1LMNACTPS1POLB
SCHEMBL31615706 0.85 MAPT (0.60) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL102545 0.85 MAPT (0.60) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL5215440 0.84 GPR119 (0.49) MAPTALDH1A1LMNAKMT2A
SCHEMBL4439503 0.83 LMNA (0.58) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL4554755 0.82 POLB (0.54) MAPTALDH1A1LMNACTPS1POLB
SCHEMBL11977746 0.82 SMARCA2 (0.48) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL4434853 0.82 MAPT (0.60) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL105883 0.81 MAPT (0.56) MAPTALDH1A1LMNAPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN 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-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
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN 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 MAPT 4106/4885ALDH1A1 2176/4885LMNA 2380/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885ALDH1A1 2176/4885LMNA 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.