SCHEMBL1777928

SCHEMBL1777928

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
HTR6 P50406 4/20 0.43
HTR7 P34969 2/20 0.43
HTR1A P08908 2/20 0.43
GAA P10253 2/20 0.42
MAP3K14 Q99558 1/20 0.42
PDE4B Q07343 1/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
DRD2 P14416 1/20 0.36
EED O75530 1/20 0.35

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 0.90 MAPT (0.48) MAPTHTR6HTR7HTR1AGAA
SCHEMBL1748604 0.88 PTGDR2 (0.39) MAPTKDM4EPTGDR2LMNAHTT
SCHEMBL1778448 0.87 MAPT (0.46) MAPTHTR6HTR7HTR1AGAA
SCHEMBL1780273 0.87 MAPT (0.46) MAPTHTR6HTR7HTR1AGAA
SCHEMBL1779946 0.87 MAPT (0.46) MAPTHTR6HTR7HTR1AGAA
SCHEMBL1778913 0.85 PTGDR2 (0.39) HTR6HTR7HTR1AGAAPTGDR2
SCHEMBL1777936 0.85 MAPT (0.48) MAPTHTR6HTR7HTR1AGAA
SCHEMBL5403881 0.85 MAPT (0.48) MAPTHTR6HTR7HTR1AGAA
SCHEMBL1778760 0.84 MAPT (0.43) MAPTHTR6HTR7HTR1AGAA
SCHEMBL14427706 0.84 MAPT (0.48) MAPTHTR6HTR7HTR1AGAA

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 17 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
WO-2003000690-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS EMPLOYING MICROWAVE TECHNOLOGY AVENTIS PHARMACEUTICALS INC. (US) 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 4861/4885HTR6 1317/4885HTR7 698/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MAPT 3999/4885HTR6 2043/4885HTR7 1313/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 MAPT 4875/4885HTR6 863/4885HTR7 219/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPT 911/4885HTR6 1744/4885HTR7 2833/4885

“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.