SCHEMBL1777359

SCHEMBL1777359

Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(-c5ccncc5)cc34)cc3cccnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
NR4A2 P43354 2/20 0.41
PCSK9 Q8NBP7 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HTR6 P50406 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
LATS1 O95835 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ENPP3 O14638 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6140206 0.87 L3MBTL1 (0.47) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL1776950 0.87 L3MBTL1 (0.41) L3MBTL1NR4A2PCSK9PTGDR2CCNE1
SCHEMBL1777336 0.86 L3MBTL1 (0.46) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1778897 0.85 L3MBTL1 (0.40) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1776528 0.85 L3MBTL1 (0.40) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1779630 0.84 HTR6 (0.44) L3MBTL1PTGDR2HTR6GSK3BKDM4E
SCHEMBL1778799 0.84 L3MBTL1 (0.44) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1780111 0.84 L3MBTL1 (0.43) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL1778089 0.84 L3MBTL1 (0.43) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1778583 0.84 PTGDR2 (0.44) L3MBTL1PCSK9PTGDR2CCNE1CDK2

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-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
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN 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 L3MBTL1 2911/4885NR4A2 936/4885PCSK9 3932/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 L3MBTL1 4557/4885NR4A2 2728/4885PCSK9 3196/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 L3MBTL1 2911/4885NR4A2 1209/4885PCSK9 4041/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885NR4A2 2723/4885PCSK9 2303/4885

“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.