SCHEMBL1778294

SCHEMBL1778294

COc1ccc(-c2[nH]c3ncccc3c2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 12/20 0.65
CDK1 P06493 12/20 0.65
CCNB1 P14635 12/20 0.65
CCNB3 Q8WWL7 12/20 0.65
GSK3A P49840 11/20 0.65
GSK3B P49841 11/20 0.65
CDK5 Q00535 8/20 0.65
CDK5R1 Q15078 8/20 0.65
RIPK1 Q13546 1/20 0.52
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
ZAP70 P43403 1/20 0.49
PTK2B Q14289 1/20 0.49
PKM P14618 1/20 0.48
CLK4 Q9HAZ1 1/20 0.47
AURKA O14965 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SYK P43405 2/20 0.44

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
SCHEMBL1777550 0.84 MAPK13 (0.48) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1777876 0.83 CYP11B1 (0.55) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1778974 0.82 MAPK13 (0.46) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1779068 0.81 MAP2K1 (0.50) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL490775 0.79 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1777731 0.77 CAMKK2 (0.56) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1637807 0.76 KDM4E (0.57) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL31053083 0.76 KDM4E (0.57) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL8321698 0.76 AURKA (0.44) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL7714731 0.76 TUBB4A (0.47) CCNB2CDK1CCNB1CCNB3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP claimed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 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
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US 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
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 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
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
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 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 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.