SCHEMBL1780273

SCHEMBL1780273

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR6 P50406 2/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
MAP3K14 Q99558 1/20 0.40
PDE4B Q07343 1/20 0.38
SLC6A4 P31645 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
DYRK1A Q13627 2/20 0.37
CLK1 P49759 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1777861 0.88 MAPT (0.48) MAPTGAAMEN1KMT2AHTR6
SCHEMBL1777928 0.87 MAPT (0.48) MAPTGAAHTR6HTR1AHTR7
SCHEMBL1778448 0.85 MAPT (0.46) MAPTGAAMEN1KMT2ANPSR1
SCHEMBL1779946 0.85 MAPT (0.46) MAPTGAAMEN1POLBKMT2A
SCHEMBL1779126 0.84 HTR6 (0.40) HTR6PDE4BPTGDR2CFTRPKM
SCHEMBL2991594 0.83 PTGDR2 (0.39) MAPTGAAPOLBPTGDR2KDM4E
SCHEMBL5403881 0.82 MAPT (0.48) MAPTGAAMEN1KMT2AHTR6
SCHEMBL1777936 0.82 MAPT (0.48) MAPTGAAMEN1KMT2ANPSR1
SCHEMBL1778760 0.82 MAPT (0.43) MAPTGAAMEN1KMT2AHTR6
SCHEMBL14427706 0.82 MAPT (0.48) MAPTGAAMEN1KMT2AHTR6

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
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP 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
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 US 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-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 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
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 (4 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 MAPT 4861/4885GAA 4362/4885MEN1 3419/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MAPT 3999/4885GAA 1203/4885MEN1 696/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 MAPT 4875/4885GAA 4384/4885MEN1 3057/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPT 911/4885GAA 2045/4885MEN1 3576/4885

“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.