SCHEMBL1779137

SCHEMBL1779137

CC(C)(O)c1ccc(-c2cc3nccnc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 0.68
CCNB2 O95067 19/20 0.68
CCNB1 P14635 19/20 0.68
CCNB3 Q8WWL7 19/20 0.68
GSK3B P49841 18/20 0.68
GSK3A P49840 15/20 0.68
CDK5 Q00535 12/20 0.65
CDK5R1 Q15078 12/20 0.65
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
PDPK1 O15530 1/20 0.50
JAK2 O60674 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 1/20 0.50
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50

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
SCHEMBL1778521 0.88 CCNB2 (0.72) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL490811 0.81 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL1779349 0.79 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL491112 0.79 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL1776913 0.77 CCNB2 (0.67) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL10014911 0.76 CCNB2 (0.65) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL489971 0.76 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL491029 0.76 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL29913067 0.76 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL1780925 0.76 CCNB2 (0.70) CDK1CCNB2CCNB1CCNB3GSK3B

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
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
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 CN disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN 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 CDK1 5/4885CCNB2 381/4885CCNB1 285/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 CDK1 37/4885CCNB2 1015/4885CCNB1 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.