SCHEMBL4183698

SCHEMBL4183698

O=c1nc(NCCO)c(F)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
CHUK O15111 1/20 0.38
POLB P06746 3/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.35
RAD52 P43351 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
PNP P00491 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CXCR2 P25025 1/20 0.33
CCR7 P32248 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK1 P06493 1/20 0.32

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
SCHEMBL27244201 0.79 PGK1 (0.33) CYP3A4PKMALDH1A1MEN1KMT2A
SCHEMBL27243746 0.76 MAT2A (0.33)
SCHEMBL5803392 0.75 HPRT1 (0.33)
SCHEMBL12894751 0.73 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL18325718 0.72 MAT2A (0.37) CHUKALDH1A1
SCHEMBL22500804 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1225985 0.71 GDA (0.36) ALDH1A1TDO2
SCHEMBL2852189 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3812513 0.69 BTK (0.37)
SCHEMBL4183696 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids THE PENNSYLVANIA STATE RESEARCH FOUNDATION 2009-03-26 US disclosed
US-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids THE PENNSYLVANIA STATE RESEARCH FOUNDATION 2009-03-26 US disclosed
US-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids THE PENNSYLVANIA STATE RESEARCH FOUNDATION 2009-03-26 US disclosed
US-7405304-B2 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids THE PENN STATE RESEARCH FOUNDATION (US) 2008-07-29 US disclosed
US-7405304-B2 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids THE PENN STATE RESEARCH FOUNDATION (US) 2008-07-29 US disclosed
US-7405304-B2 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids THE PENN STATE RESEARCH FOUNDATION (US) 2008-07-29 US disclosed
CN-1325504-C Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids PENNSYLVANIA STATE RES FOUNDAT (US) 2007-07-11 CN disclosed
CN-1639170-A Process for preparing alkyl diarylborates and complexed diarylboronic acids PENNSYLVANIA STATE RES FOUNDAT (US) 2005-07-13 CN disclosed
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids PENN STATE RESEARCH FOUNDATION, THE 2005-04-14 US disclosed
EP-1463739-A2 METHODS FOR THE PREPARATION OF ALKYL DIARYL BORINATES AND COMPLEXED DIARYLBORINIC ACIDS THE PENNSYLVANIA STATE RESEARCH FOUNDATION (US) 2004-10-06 EP disclosed
WO-2003059916-A2 METHODS FOR THE PREPARATION OF ALKYL DIARYL BORINATES AND COMPLEXED DIARYLBORINIC ACIDS THE PENNSYLVANIA STATE RESEARCH FOUNDATION (US) 2003-07-24 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-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids BCL6B, BLVRB, SSB KDM4E 2810/4885MAPK1 3171/4885CHUK 3243/4885
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids BCL6B, BLVRB, SSB KDM4E 2810/4885MAPK1 3171/4885CHUK 3243/4885

“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.