SCHEMBL3422569

SCHEMBL3422569

COCc1ccc2cc(-c3cc(-c4ccncc4)nnc3OC)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.38
ITK Q08881 2/20 0.36
SQOR Q9Y6N5 2/20 0.35
MAOA P21397 1/20 0.35
DYRK1A Q13627 1/20 0.35
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.33
GSK3B P49841 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL3428892 0.83 CHEK1 (0.44) DYRK1A
SCHEMBL3426031 0.81 GSK3B (0.43) CLK1ITKMAOADYRK1ACDK5
SCHEMBL3424207 0.79 EIF4A3 (0.37) CLK1ITKSQORTLR8TLR7
SCHEMBL1751049 0.74 GSK3B (0.36) CLK1ITKSQORTLR8TLR7
Trifluoroacetic Acid SCHEMBL1749441 0.72 SLC22A12 (0.48) SQORCDK5CDK5R1KDM4EMEN1
SCHEMBL3424712 0.71 PKN1 (0.51) CDK5CDK5R1KDM4EMEN1ALDH1A1
SCHEMBL3424195 0.67 ITK (0.40) ITKDYRK1ACDK5CDK5R1GSK3B
SCHEMBL3426237 0.67 RAB9A (0.48) ITKROCK2GSK3BKDM4EMEN1
SCHEMBL3426590 0.66 KDR (0.43) ITKDYRK1ACDK5CDK5R1GSK3B
SCHEMBL16542805 0.66 ALOX5 (0.43) ITKCDK5CDK5R1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US 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 (1 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK CLK1 369/4885ITK 809/4885SQOR 1244/4885

“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.