SCHEMBL4443809

SCHEMBL4443809

CC(C)(C)OC(=O)NC1CCCN(c2cnccc2[N+](=O)[O-])C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.48
JAK3 P52333 3/20 0.48
MAP4K4 O95819 2/20 0.47
DPP4 P27487 1/20 0.45
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
LCK P06239 2/20 0.44
EGFR P00533 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SYK P43405 1/20 0.42
AURKA O14965 3/20 0.42
PDPK1 O15530 3/20 0.42
AURKB Q96GD4 3/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4D Q6B0I6 1/20 0.41

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
SCHEMBL13833560 1.00 BTK (0.48) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL2691435 0.92 BTK (0.48) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL2691438 0.92 BTK (0.48) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL4437574 0.92 BTK (0.48) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL27775398 0.91 MAPT (0.43) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL16522583 0.86 PIM1 (0.47) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL4439224 0.86 PIM1 (0.47) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL16522586 0.86 PIM1 (0.47) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL13156658 0.86 ALDH1A1 (0.53) BTKJAK3MAP4K4DPP4PDE10A
SCHEMBL11908583 0.86 ALDH1A1 (0.53) BTKJAK3MAP4K4DPP4PDE10A

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 6 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
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 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.