SCHEMBL4553425

SCHEMBL4553425

CC(C)(C)OC(=O)NC1CCCN(c2ccccc2N)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.56
PIM1 P11309 1/20 0.53
PIM3 Q86V86 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
BTK Q06187 3/20 0.51
PDE10A Q9Y233 1/20 0.50
JAK3 P52333 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
AURKA O14965 3/20 0.49
PDPK1 O15530 3/20 0.49
AURKB Q96GD4 3/20 0.49
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.46
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
CTSK P43235 2/20 0.44

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
SCHEMBL13156648 1.00 MAP4K4 (0.56) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL13156657 1.00 MAP4K4 (0.56) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL14206408 0.93 PIM1 (0.60) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL3211670 0.93 PIM1 (0.60) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL3211686 0.93 PIM1 (0.60) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL14206788 0.92 CKS1B (0.52) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL27796433 0.89 MAP4K4 (0.45) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL1271996 0.87 CKS1B (0.55) PIM1PIM3PIM2KMT2AL3MBTL1
SCHEMBL2069232 0.87 PIM1 (0.52) MAP4K4PIM1PIM3PIM2BTK
SCHEMBL15608911 0.87 PIM1 (0.52) MAP4K4PIM1PIM3PIM2BTK

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
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
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 MAP4K4 85/4885PIM1 1/4885PIM3 3/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP4K4 85/4885PIM1 1/4885PIM3 3/4885

“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.