SCHEMBL1778473

SCHEMBL1778473

O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2nccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 14/20 0.54
GSK3B P49841 14/20 0.54
CDK1 P06493 13/20 0.54
CCNB2 O95067 12/20 0.54
CCNB1 P14635 12/20 0.54
CCNB3 Q8WWL7 12/20 0.54
CDK5 Q00535 7/20 0.54
CDK5R1 Q15078 6/20 0.54
MAPK8 P45983 3/20 0.53
AURKA O14965 2/20 0.53
MAP4K4 O95819 2/20 0.53
PAK4 O96013 2/20 0.53
ABL1 P00519 2/20 0.53
FYN P06241 2/20 0.53
RET P07949 2/20 0.53
KDR P35968 2/20 0.53
CDK8 P49336 2/20 0.53
ACVR1 Q04771 2/20 0.53
PTK2 Q05397 2/20 0.53
LRRK2 Q5S007 2/20 0.53

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
SCHEMBL1778366 0.88 GSK3A (0.70) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777073 0.86 GSK3A (0.54) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777830 0.84 GSK3A (0.59) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777822 0.84 GSK3A (0.72) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL6846771 0.81 GSK3A (0.61) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777025 0.81 GSK3A (0.55) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL27594653 0.80 GSK3A (0.70) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1779346 0.78 GSK3A (0.70) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL7253117 0.75 GSK3A (0.69) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1779469 0.75 GSK3A (0.69) GSK3AGSK3BCDK1CCNB2CCNB1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN claimed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US claimed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US claimed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US 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
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 CN 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 (3 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 GSK3A 456/4885GSK3B 409/4885CDK1 5/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GSK3A 1039/4885GSK3B 1166/4885CDK1 13/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 GSK3A 176/4885GSK3B 187/4885CDK1 37/4885

“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.