SCHEMBL1778089

SCHEMBL1778089

CC(=O)c1ccc2c(c1)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SYK P43405 2/20 0.39
ENPP3 O14638 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOD1 Q9Y239 2/20 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
SCHEMBL1778583 0.93 PTGDR2 (0.44) L3MBTL1PTGDR2ALDH1A1HTTSYK
SCHEMBL3103172 0.90 PTGDR2 (0.42) L3MBTL1PTGDR2ALDH1A1HTTHPGD
SCHEMBL1777336 0.88 L3MBTL1 (0.46) L3MBTL1PTGDR2ALDH1A1HTTHPGD
SCHEMBL1778006 0.88 L3MBTL1 (0.41) L3MBTL1PTGDR2ALDH1A1HTTSYK
SCHEMBL1778004 0.88 L3MBTL1 (0.41) L3MBTL1PTGDR2ALDH1A1HTTSYK
SCHEMBL1780127 0.88 PTGDR2 (0.43) L3MBTL1PTGDR2ALDH1A1ENPP3PCSK9
SCHEMBL6140206 0.87 L3MBTL1 (0.47) L3MBTL1PTGDR2ALDH1A1HTTENPP3
SCHEMBL1778452 0.86 PTGDR2 (0.43) L3MBTL1PTGDR2ALDH1A1HTTENPP3
SCHEMBL1779371 0.85 PSEN1 (0.44) L3MBTL1PTGDR2ALDH1A1HTTHPGD
SCHEMBL1779630 0.84 HTR6 (0.44) L3MBTL1PTGDR2CYP3A4KDM4EGSK3B

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 12 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
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US 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 2911/4885PTGDR2 1659/4885ALDH1A1 4397/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 L3MBTL1 4557/4885PTGDR2 803/4885ALDH1A1 939/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 L3MBTL1 2911/4885PTGDR2 1357/4885ALDH1A1 4673/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885PTGDR2 1583/4885ALDH1A1 3053/4885

“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.