SCHEMBL4436052

SCHEMBL4436052

CC(C)(C)OC(=O)NC1CCCN(c2ncccc2N)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.58
MAP4K4 O95819 2/20 0.57
BTK Q06187 5/20 0.55
JAK3 P52333 3/20 0.51
AURKA O14965 3/20 0.48
PDPK1 O15530 3/20 0.48
AURKB Q96GD4 3/20 0.48
LCK P06239 2/20 0.46
EGFR P00533 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
SYK P43405 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 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
SCHEMBL28785402 0.90 PDE10A (0.48) PDE10AMAP4K4BTKJAK3AURKA
SCHEMBL3216221 0.87 CKS1B (0.53) PDE10AMAP4K4BTKMEN1CYP1A2
SCHEMBL30464406 0.86 MAP4K4 (0.60) PDE10AMAP4K4BTKJAK3AURKA
SCHEMBL25597537 0.86 MAP4K4 (0.60) PDE10AMAP4K4BTKJAK3AURKA
SCHEMBL11906355 0.84 PDE10A (0.55) PDE10AMAP4K4BTKJAK3CYP1A2
SCHEMBL28138963 0.83 BTK (0.57) PDE10AMAP4K4BTKJAK3AURKA
SCHEMBL28138962 0.83 BTK (0.57) PDE10AMAP4K4BTKJAK3AURKA
SCHEMBL1710368 0.83 MAP4K4 (0.57) PDE10AMAP4K4BTKJAK3AURKA
SCHEMBL1710367 0.83 MAP4K4 (0.57) PDE10AMAP4K4BTKJAK3AURKA
SCHEMBL13156657 0.83 MAP4K4 (0.56) PDE10AMAP4K4BTKJAK3AURKA

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 PDE10A 2668/4885MAP4K4 85/4885BTK 16/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PDE10A 2668/4885MAP4K4 85/4885BTK 16/4885

“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.