SCHEMBL4138960

SCHEMBL4138960

Oc1ccc(-c2cncc(NCc3cccc(O)c3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.60
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
PKM P14618 3/20 0.46
MAPT P10636 3/20 0.46
BLM P54132 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC2A4 P14672 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL4146617 0.92 FYN (0.64) FYNROCK2ROCK1PKMMAPT
SCHEMBL4148055 0.91 FYN (0.57) FYNROCK2ROCK1PKMMAPT
SCHEMBL4191754 0.91 FYN (0.57) FYNROCK2ROCK1PKMMAPT
SCHEMBL4155317 0.90 FYN (0.59) FYNROCK2ROCK1PKMMAPT
SCHEMBL4160677 0.90 FYN (0.73) FYNROCK2ROCK1PKMMAPT
SCHEMBL4187608 0.89 FYN (0.60) FYNROCK2ROCK1PKMMAPT
SCHEMBL4151719 0.88 FYN (0.51) FYNROCK2PKMMAPTBLM
SCHEMBL4156602 0.87 FYN (0.51) FYNPKMMAPTBLMKMT2A
SCHEMBL4199084 0.86 FYN (0.61) FYNMAPTKDM4EALDH1A1RAB9A
SCHEMBL4159948 0.86 FYN (0.53) FYNROCK2ROCK1HIF1ACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 WO disclosed
EP-1644365-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS Biofocus Discovery Ltd (GB) 2006-04-12 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO disclosed
WO-2005003101-A2 PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS BIOFOCUS DISCOVERY LIMITED (GB) 2005-01-13 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 (6 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT FYN 114/4885ROCK2 2/4885ROCK1 1/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 FYN 3292/4885ROCK2 1231/4885ROCK1 1014/4885
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR FYN 2342/4885ROCK2 391/4885ROCK1 333/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885ROCK2 1231/4885ROCK1 1014/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885ROCK2 1231/4885ROCK1 1014/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885ROCK2 2961/4885ROCK1 2491/4885

“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.