SCHEMBL1777936

SCHEMBL1777936

COc1ccc2[nH]cc(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
GAA P10253 1/20 0.43
MAP3K14 Q99558 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CXCR2 P25025 1/20 0.41
AGTR1 P30556 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 1/20 0.40

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
SCHEMBL1748508 0.88 L3MBTL1 (0.44) MAPTL3MBTL1PTGDR2SMN1; SMN2TP53
SCHEMBL1780188 0.87 L3MBTL1 (0.45) MAPTL3MBTL1HTR1AHTR7HTR6
SCHEMBL27687970 0.87 L3MBTL1 (0.48) MAPTL3MBTL1HTR7HTR6GAA
SCHEMBL14439419 0.86 MAPT (0.48) MAPTHTR1AHTR7HTR6GAA
SCHEMBL1749087 0.86 L3MBTL1 (0.44) MAPTL3MBTL1PTGDR2SMN1; SMN2TP53
SCHEMBL1777861 0.85 MAPT (0.48) MAPTHTR1AHTR7HTR6GAA
SCHEMBL1777566 0.85 MAPT (0.45) MAPTHTR1AHTR7HTR6GAA
SCHEMBL1748920 0.85 L3MBTL1 (0.41) MAPTL3MBTL1GAAPTGDR2SMN1; SMN2
SCHEMBL1777928 0.85 MAPT (0.48) MAPTHTR1AHTR7HTR6GAA
SCHEMBL1778523 0.85 L3MBTL1 (0.43) MAPTL3MBTL1HTR1AHTR7HTR6

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 4861/4885L3MBTL1 2911/4885HTR1A 2237/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MAPT 3999/4885L3MBTL1 4557/4885HTR1A 1507/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 MAPT 4875/4885L3MBTL1 2911/4885HTR1A 1458/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPT 911/4885L3MBTL1 4695/4885HTR1A 2020/4885

“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.