SCHEMBL4435995

SCHEMBL4435995

COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.70
RECQL P46063 1/20 0.70
ALDH1A1 P00352 11/20 0.67
MAPK1 P28482 4/20 0.65
LMNA P02545 4/20 0.65
GAA P10253 2/20 0.65
HPGD P15428 2/20 0.65
HSP90AA1 P07900 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 3/20 0.62
TDP1 Q9NUW8 1/20 0.61
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GFER P55789 1/20 0.56
MEN1 O00255 1/20 0.56
PKM P14618 1/20 0.56
KCNH2 Q12809 1/20 0.56
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL4434853 0.86 MAPT (0.60) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL13156273 0.85 MAPT (0.75) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL4433632 0.85 LMNA (0.74) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL6629924 0.85 MAPT (0.58) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL31443837 0.85 MAPT (0.58) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL102545 0.84 MAPT (0.60) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL31615706 0.84 MAPT (0.60) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL4436884 0.84 MEN1 (0.63) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL5693165 0.83 MAPT (0.62) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL30301697 0.83 MAPT (0.61) MAPTALDH1A1MAPK1LMNAGAA

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
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO 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

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 4106/4885RECQL 4079/4885ALDH1A1 2176/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885RECQL 4079/4885ALDH1A1 2176/4885

“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.