SCHEMBL4565716

SCHEMBL4565716

CC(C)(C)OC(=O)NC1CCCN(c2ccncc2NC(=O)c2nc(Br)c(F)cc2N)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 17/20 0.50
PIM3 Q86V86 16/20 0.50
PIM1 P11309 12/20 0.50
GSK3B P49841 2/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK3 O43781 1/20 0.45
CSNK1E P49674 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
DYRK2 Q92630 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK4 Q9NR20 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MAP4K4 O95819 1/20 0.43

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
SCHEMBL11906686 1.00 PIM2 (0.50) PIM2PIM3PIM1GSK3BDYRK1A
SCHEMBL14067752 0.92 MAP4K4 (0.42) PIM2PIM3PIM1GSK3BDYRK1A
SCHEMBL11907439 0.88 PIM2 (0.55) PIM2PIM3PIM1GSK3BMAP4K4
SCHEMBL4555708 0.88 PIM2 (0.55) PIM2PIM3PIM1GSK3BMAP4K4
SCHEMBL15996772 0.87 PIM2 (0.48) PIM2PIM3PIM1GSK3BDYRK1A
SCHEMBL11907983 0.87 PIM2 (0.48) PIM2PIM3PIM1
SCHEMBL11907982 0.87 PIM2 (0.48) PIM2PIM3PIM1
SCHEMBL11984651 0.87 PIM2 (0.46) PIM2PIM3PIM1GSK3BDYRK1A
SCHEMBL11908095 0.87 PIM2 (0.48) PIM2PIM3PIM1GSK3BDYRK1A
SCHEMBL4555798 0.87 PIM2 (0.48) PIM2PIM3PIM1GSK3BDYRK1A

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 7 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-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
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 PIM2 2/4885PIM3 3/4885PIM1 1/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM2 2/4885PIM3 3/4885PIM1 1/4885

“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.