SCHEMBL1779559

SCHEMBL1779559

FC(F)(F)Oc1ccc(-c2cc3nccnc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 17/20 0.67
CDK1 P06493 17/20 0.67
CCNB1 P14635 17/20 0.67
CCNB3 Q8WWL7 17/20 0.67
GSK3B P49841 15/20 0.67
GSK3A P49840 12/20 0.67
CDK5 Q00535 10/20 0.67
CDK5R1 Q15078 10/20 0.67
NPY5R Q15761 1/20 0.50
RIPK1 Q13546 1/20 0.49
SCN1A P35498 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47

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
SCHEMBL1777173 0.81 CCNB2 (0.60) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490811 0.80 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490667 0.80 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29913067 0.78 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491029 0.78 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778471 0.77 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL6851117 0.75 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491112 0.74 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1779349 0.74 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL489971 0.74 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B

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 15 patents. 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
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 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-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 (2 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 CCNB2 381/4885CDK1 5/4885CCNB1 285/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 CCNB2 1015/4885CDK1 37/4885CCNB1 477/4885

“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.