SCHEMBL1779136

SCHEMBL1779136

c1cnc2[nH]c(-c3ccc(C4OCCCO4)cc3)cc2n1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 20/20 0.90
CDK1 P06493 20/20 0.90
CCNB1 P14635 20/20 0.90
CCNB3 Q8WWL7 20/20 0.90
GSK3B P49841 18/20 0.90
CDK5 Q00535 13/20 0.90
CDK5R1 Q15078 13/20 0.90
GSK3A P49840 13/20 0.55

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
SCHEMBL1778720 0.86 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490541 0.82 CCNB2 (0.72) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL13503103 0.74 CCNB2 (0.61) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778600 0.73 CCNB2 (0.59) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1779349 0.71 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29913067 0.71 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491112 0.71 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780925 0.71 CCNB2 (0.70) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491029 0.71 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL489971 0.71 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 19 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-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
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
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 CCNB2 194/4885CDK1 8/4885CCNB1 218/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 CCNB2 381/4885CDK1 5/4885CCNB1 285/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 CCNB2 244/4885CDK1 13/4885CCNB1 275/4885
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.