SCHEMBL4154792

SCHEMBL4154792

COc1cncc(-c2cncc(NCc3ccc4ccccc4c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 6/20 0.50
CLK1 P49759 4/20 0.49
DYRK1A Q13627 4/20 0.49
BACE1 P56817 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PDE4B Q07343 1/20 0.47
NOS1 P29475 1/20 0.46
FYN P06241 2/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL4143226 0.84 INSR (0.46) CYP11B2CLK1KCNH2FYNGABRA1
SCHEMBL4160102 0.83 INSR (0.45) KCNH2CYP1A2CYP3A4CYP2C9FYN
SCHEMBL4186887 0.82 WDR5 (0.49) CYP11B1CYP11B2CLK1DYRK1ABACE1
SCHEMBL4182323 0.82 CLK1 (0.54) CYP11B1CYP11B2CLK1DYRK1ABACE1
SCHEMBL4196517 0.82 DYRK1A (0.54) CYP11B1CYP11B2CLK1DYRK1ABACE1
SCHEMBL4154773 0.81 FYN (0.55) CYP11B1CYP11B2CLK1DYRK1ABACE1
SCHEMBL4190213 0.81 BACE1 (0.55) CLK1DYRK1ABACE1KCNH2CYP1A2
SCHEMBL4149226 0.81 INSR (0.49) CYP11B2CLK1KCNH2FYNGABRA1
SCHEMBL4199325 0.79 FYN (0.64) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4187702 0.78 FYN (0.62) CYP11B1CYP11B2CLK1DYRK1ABACE1

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 16 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
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
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
WO-2004085409-A2 COMPOUNDS AND LIBRARIES OF PYRIDINES, PYRAZINES, IMIDAZO[1,2-A]PYRAZINES AND 1H-IMIDAZO[4,5-B]PYRAZIN-2-ONES AND FIRST AND SECOND MEDICAL USES THEREOF BIOFOCUS DISCOVERY LTD (GB) 2004-10-07 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 (5 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 CYP11B1 144/4885CYP11B2 142/4885CLK1 567/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CYP11B1 64/4885CYP11B2 149/4885CLK1 66/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP11B1 64/4885CYP11B2 149/4885CLK1 66/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP11B1 64/4885CYP11B2 149/4885CLK1 66/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA CYP11B1 348/4885CYP11B2 280/4885CLK1 2529/4885

“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.