SCHEMBL4155149

SCHEMBL4155149

c1ccc(Nc2cncc(-c3cnc4ccccc4c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.56
PDGFRB P09619 3/20 0.55
PDGFRA P16234 3/20 0.55
PIK3CA P42336 3/20 0.50
PIK3CD O00329 2/20 0.50
XDH P47989 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
BIRC5 O15392 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KDM1A O60341 1/20 0.46
PDPK1 O15530 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
MAP4K4 O95819 1/20 0.43

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
SCHEMBL4195771 0.86 BIRC5 (0.62) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL29449763 0.82 PDGFRB (0.64) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL28633433 0.82 PDGFRB (0.64) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL2111139 0.82 KDM4E (0.58) PDGFRBPDGFRAKDM4EKDRCYP1A2
SCHEMBL4185498 0.81 TDP2 (0.59) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL4192415 0.80 XDH (0.59) XDHSLC22A12CNR1MKNK2
SCHEMBL2772360 0.78 PDGFRB (0.77) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL32667946 0.78 PDGFRB (0.77) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL4194226 0.77 CYP1A2 (0.55) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL17742433 0.77 IGF1R (0.51) PDGFRBPDGFRABIRC5CNR1CNR2

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 CYP2A6 2233/4885PDGFRB 1244/4885PDGFRA 1484/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CYP2A6 1880/4885PDGFRB 4237/4885PDGFRA 4611/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP2A6 1880/4885PDGFRB 4237/4885PDGFRA 4611/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP2A6 1880/4885PDGFRB 4237/4885PDGFRA 4611/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA CYP2A6 1615/4885PDGFRB 614/4885PDGFRA 550/4885

“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.