SCHEMBL1777906

SCHEMBL1777906

COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.67
GSK3A P49840 7/20 0.67
LCK P06239 2/20 0.67
IGF1R P08069 2/20 0.67
CDK7 P50613 2/20 0.67
LRRK2 Q5S007 2/20 0.67
AURKB Q96GD4 2/20 0.67
JAK2 O60674 1/20 0.67
BTK Q06187 1/20 0.67
CDK5 Q00535 6/20 0.49
AURKA O14965 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49

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
SCHEMBL12606367 0.86 GSK3B (0.74) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL1778085 0.84 GSK3B (0.73) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL1780099 0.82 GSK3B (0.70) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL1778128 0.82 GSK3B (0.70) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL1778596 0.81 GSK3B (1.00) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL1777901 0.78 GSK3B (0.64) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL1779842 0.77 GSK3B (0.62) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL5619401 0.76 GSK3B (0.71) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL1779101 0.76 GSK3B (0.89) GSK3BGSK3ALCKIGF1RCDK7
SCHEMBL3109176 0.76 GSK3B (0.61) GSK3BGSK3ALCKIGF1RCDK7

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 20 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
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
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
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 (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 GSK3B 805/4885GSK3A 681/4885LCK 480/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 GSK3B 409/4885GSK3A 456/4885LCK 155/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GSK3B 1166/4885GSK3A 1039/4885LCK 481/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 GSK3B 187/4885GSK3A 176/4885LCK 66/4885

“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.