SCHEMBL4564337

SCHEMBL4564337

CC(C)(C)OC(=O)NC1CCCN(c2ccc(C#N)cc2N)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.53
JAK3 P52333 1/20 0.53
MAP4K4 O95819 2/20 0.50
AURKA O14965 3/20 0.48
PDPK1 O15530 3/20 0.48
AURKB Q96GD4 3/20 0.48
DRD2 P14416 1/20 0.47
CTSK P43235 2/20 0.47
KDM4D Q6B0I6 5/20 0.46
RET P07949 1/20 0.46
DPP4 P27487 1/20 0.45
F10 P00742 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL28782646 0.90 JAK3 (0.43) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL14334858 0.89 DRD2 (0.53) BTKJAK3DRD2CTSKKDM4D
SCHEMBL4445734 0.86 MAP4K4 (0.53) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL4439333 0.85 JAK3 (0.52) BTKJAK3MAP4K4DRD2CTSK
SCHEMBL28566874 0.85 HTT (0.54) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL4436879 0.85 MAP4K4 (0.52) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL4437103 0.84 MAP4K4 (0.50) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL807386 0.84 MAP4K4 (0.52) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL28572991 0.84 MAP4K4 (0.52) BTKJAK3MAP4K4AURKAPDPK1
SCHEMBL4439169 0.84 MAP4K4 (0.52) BTKJAK3MAP4K4AURKAPDPK1

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 BTK 16/4885JAK3 165/4885MAP4K4 85/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BTK 16/4885JAK3 165/4885MAP4K4 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.