SCHEMBL1779870

SCHEMBL1779870

COc1ccc2[nH]cc(-c3cc4c(C(=O)OC(C)(C)C)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.39
HTR6 P50406 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
GAA P10253 1/20 0.38
MAP3K14 Q99558 1/20 0.37
NR4A2 P43354 1/20 0.37
TP53 P04637 1/20 0.36
CPT1A P50416 1/20 0.36
PDE4B Q07343 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HTT P42858 1/20 0.35
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34

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
SCHEMBL1778448 0.90 MAPT (0.46) MAPTPTGDR2HTR6HTR1AHTR7
SCHEMBL1777861 0.84 MAPT (0.48) MAPTPTGDR2HTR6HTR1AHTR7
SCHEMBL1777928 0.83 MAPT (0.48) MAPTPTGDR2HTR6HTR1AHTR7
SCHEMBL1778195 0.83 PTGDR2 (0.40) MAPTPTGDR2HTR6TP53KDM4E
SCHEMBL1779946 0.81 MAPT (0.46) MAPTPTGDR2HTR6HTR1AHTR7
SCHEMBL1780273 0.81 MAPT (0.46) MAPTPTGDR2HTR6HTR1AHTR7
SCHEMBL1778760 0.80 MAPT (0.43) MAPTPTGDR2HTR6HTR1AHTR7
SCHEMBL1777936 0.79 MAPT (0.48) MAPTPTGDR2HTR6HTR1AHTR7
SCHEMBL5403881 0.79 MAPT (0.48) MAPTHTR6HTR1AHTR7GAA
SCHEMBL14427706 0.79 MAPT (0.48) MAPTHTR6HTR1AHTR7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MAPT 3999/4885PTGDR2 803/4885HTR6 2043/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPT 911/4885PTGDR2 1583/4885HTR6 1744/4885

“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.