SCHEMBL1779514

SCHEMBL1779514

Cc1ccc(S(=O)(=O)n2cc(C)c3cccnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.50
HTR6 P50406 4/20 0.48
HSD11B1 P28845 2/20 0.47
KDM4E B2RXH2 1/20 0.47
UBE2N P61088 1/20 0.47
POLB P06746 1/20 0.46
ALDH3A1 P30838 1/20 0.46
HTT P42858 1/20 0.46
NOD1 Q9Y239 1/20 0.46
COMT P21964 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL1773129 0.90 HTR6 (0.58) L3MBTL1PTGDR2HTR6HTTRAPGEF4
SCHEMBL13302164 0.87 L3MBTL1 (0.59) L3MBTL1PTGDR2HTR6HSD11B1KDM4E
SCHEMBL28523210 0.86 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6HSD11B1KDM4E
SCHEMBL12657360 0.86 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6HSD11B1KDM4E
SCHEMBL29605109 0.86 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6HSD11B1KDM4E
SCHEMBL1668563 0.86 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6HSD11B1KDM4E
SCHEMBL257136 0.85 KDM4E (0.64) L3MBTL1PTGDR2HTR6HSD11B1KDM4E
SCHEMBL28325459 0.85 HTR6 (0.57) L3MBTL1PTGDR2HTR6KDM4EUBE2N
SCHEMBL2984205 0.84 L3MBTL1 (0.55) L3MBTL1PTGDR2HTR6KDM4EUBE2N
SCHEMBL2447588 0.84 L3MBTL1 (0.55) L3MBTL1PTGDR2HTR6HSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090614-B2 Processes and intermediates for producing azaindoles VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2015-04-09 US disclosed
US-8946425-B2 Processes and intermediates for producing azaindoles VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-03 US disclosed
US-20140309421-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-8796453-B2 Processes and intermediates for producing azaindoles VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-05 US disclosed
US-20130303764-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2013-11-14 US disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO 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 (5 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 L3MBTL1 4557/4885PTGDR2 803/4885HTR6 2043/4885
US-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 L3MBTL1 4344/4885PTGDR2 1275/4885HTR6 2188/4885
US-20140309421-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 L3MBTL1 4344/4885PTGDR2 1275/4885HTR6 2188/4885
US-20130303764-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 L3MBTL1 4344/4885PTGDR2 1275/4885HTR6 2188/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885PTGDR2 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.