SCHEMBL1854446

SCHEMBL1854446

CC(C)(O)C(C)(C)OB(O)c1ccnc(N2CCNCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.46
PLD1 Q13393 1/20 0.40
AOC3 Q16853 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
DYRK1A Q13627 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
NMT1 P30419 8/20 0.37
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
KARS1 Q15046 1/20 0.35

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
SCHEMBL12815299 0.89 HRH4 (0.40) ADRB1HRH4
SCHEMBL876181 0.87 HRH4 (0.44) HRH4DYRK1AHRH3
SCHEMBL452425 0.86 PIK3CA (0.45)
SCHEMBL585940 0.82 RET (0.39) PLD1HRH4
SCHEMBL29956812 0.78 ADRB1 (0.55) ADRB1PLD1AOC3HRH4DYRK1A
SCHEMBL1602821 0.78 ADRB1 (0.55) ADRB1PLD1AOC3HRH4DYRK1A
SCHEMBL12816668 0.74
SCHEMBL1118010 0.74 UHRF1 (0.36) DYRK1A
SCHEMBL15311827 0.72 MKNK1 (0.32)
SCHEMBL16012071 0.72 RECQL (0.34)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828346-B2 N-myristoyl transferase inhibitors UNIVERSITY OF DUNDEE (GB) 2017-11-28 US disclosed
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 EP disclosed
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2016-03-03 US disclosed
EP-2980076-A1 PYRAZOLYL DERIVATIVES University of Dundee (GB) 2016-02-03 EP disclosed
US-9156811-B2 N-myristoyl transferase inhibitors Univeristy of Dundee (GB) 2015-10-13 US disclosed
EP-2323987-B1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIV DUNDEE (GB) 2015-06-24 EP disclosed
WO-2014089280-A1 ALKYNYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-06-12 WO disclosed
US-20110312921-A1 N-Myristoyl Transferase Inhibitors DUNDEE, UNIVERSITY OF (GB) 2011-12-22 US disclosed
EP-2323987-A1 N-MYRISTOYL TRANSFERASE INHIBITORS University of Dundee (GB) 2011-05-25 EP disclosed
WO-2010026365-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2010-03-11 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-20110312921-A1 N-Myristoyl Transferase Inhibitors GNMT, NNMT, SPTLC1 ADRB1 4569/4885PLD1 990/4885AOC3 4576/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 ADRB1 4569/4885PLD1 990/4885AOC3 4576/4885

“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.