SCHEMBL4439288

SCHEMBL4439288

COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMARCA2 P51531 1/20 0.52
SMARCA4 P51532 1/20 0.52
PBRM1 Q86U86 1/20 0.52
USP8 P40818 1/20 0.51
USP7 Q93009 1/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
STS P08842 2/20 0.48
SLC2A1 P11166 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
BACE1 P56817 2/20 0.47
CTSD P07339 1/20 0.47
CTSE P14091 1/20 0.47
ABCB1 P08183 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
MAP4K4 O95819 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
SCHEMBL8363976 0.85 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2STS
SCHEMBL4439841 0.84 SMARCA2 (0.54) ALDH1A1SMARCA2SMARCA4PBRM1MAPT
SCHEMBL2462201 0.84 MAPT (0.50) ALDH1A1SMARCA2SMARCA4PBRM1MAPT
SCHEMBL3856804 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2STS
SCHEMBL31250021 0.83 ALDH1A1 (0.57) ALDH1A1SMARCA2SMARCA4PBRM1MAPT
SCHEMBL6628496 0.83 BACE1 (0.54) ALDH1A1SMARCA2SMARCA4PBRM1MAPT
SCHEMBL31443728 0.83 BACE1 (0.54) ALDH1A1SMARCA2SMARCA4PBRM1MAPT
SCHEMBL4439802 0.83 POLB (0.57) ALDH1A1SMARCA2SMARCA4PBRM1MAPT
SCHEMBL13156285 0.83 ALDH1A1 (0.57) ALDH1A1SMARCA2SMARCA4PBRM1MAPT
SCHEMBL31615949 0.82 KDM4E (0.67) ALDH1A1SMARCA2SMARCA4PBRM1MAPT

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 15 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
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO 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 ALDH1A1 2176/4885SMARCA2 1455/4885SMARCA4 1579/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ALDH1A1 2176/4885SMARCA2 1455/4885SMARCA4 1579/4885

“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.