SCHEMBL4439231

SCHEMBL4439231

COc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 11/20 0.53
MAPK1 P28482 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
HSP90AA1 P07900 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KCNH2 Q12809 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
SCHEMBL28560897 0.89 MAPT (0.51) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL11909441 0.89 MAPT (0.51) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL4433773 0.87 MAPT (0.50) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL15103633 0.87 MAPT (0.60) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL15103634 0.87 MAPT (0.60) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL14334379 0.87 POLB (0.55) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4445168 0.86 MAPK1 (0.58) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL4443707 0.86 MAPT (0.53) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL4439259 0.85 POLB (0.56) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL4442554 0.84 MAPT (0.48) 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 12 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
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.