SCHEMBL4444747

SCHEMBL4444747

Nc1[nH]c(=O)ncc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAP4K4 O95819 1/20 0.36
SPR P35270 11/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CD O00329 1/20 0.34
MGLL Q99685 1/20 0.33
MAP3K12 Q12852 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL4433604 0.77 POLB (0.42) KDM4EMAPT
SCHEMBL11907918 0.76 PIM1 (0.44) KDM4EMAPTSCN10A
SCHEMBL4436442 0.73 LRRK2 (0.37) KDM4EMAP3K12
SCHEMBL14067817 0.73 PRKCQ (0.40)
SCHEMBL11908800 0.73 GRM5 (0.38) KDM4EMAPTSCN10A
SCHEMBL25195039 0.69 MAP4K4 (0.40) KDM4EMAPTMAP4K4SCN10APIK3CA
SCHEMBL23043648 0.66 GAA (0.62) KDM4EMAP4K4SCN10APIK3CAMTOR
SCHEMBL11908118 0.66 PIM1 (0.47) KDM4EMAPT
SCHEMBL30279198 0.66 KDM4E (0.52) KDM4EMAPTMAP4K4PIK3CAMTOR
SCHEMBL16635339 0.64 TRPA1 (0.46) KDM4EMAPTMAP4K4SCN10APIK3CA

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
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
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 KDM4E 946/4885MAPT 4106/4885MAP4K4 85/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4E 946/4885MAPT 4106/4885MAP4K4 85/4885

“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.