SCHEMBL3104144

SCHEMBL3104144

COC(=O)c1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.69
GSK3A P49840 8/20 0.69
IGF1R P08069 5/20 0.69
CDK7 P50613 5/20 0.69
AURKB Q96GD4 5/20 0.69
LCK P06239 4/20 0.69
LRRK2 Q5S007 4/20 0.69
JAK2 O60674 4/20 0.69
BTK Q06187 1/20 0.69
SYK P43405 1/20 0.51
CDK5 Q00535 8/20 0.50
AURKA O14965 4/20 0.50
ABL1 P00519 4/20 0.50
RET P07949 4/20 0.50
FLT3 P36888 4/20 0.50
PRKAA1 Q13131 4/20 0.50
FGFR1 P11362 4/20 0.50
PAK4 O96013 3/20 0.50
NTRK1 P04629 3/20 0.50
FYN P06241 3/20 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
SCHEMBL27709362 0.90 GSK3B (0.61) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL1777186 0.89 GSK3B (0.65) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL1777132 0.87 GSK3B (0.63) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL1777871 0.86 GSK3B (0.62) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL27613610 0.85 SYK (0.69) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL1777000 0.85 IGF1R (0.61) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL7694196 0.85 GSK3B (0.56) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL12605974 0.84 IGF1R (0.49) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL28751327 0.83 GSK3B (0.59) GSK3BGSK3AIGF1RCDK7AURKB
SCHEMBL27613433 0.83 GSK3B (0.59) GSK3BGSK3AIGF1RCDK7AURKB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 CN disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
CN-100379734-C Azaindoles AVENTIS PHARMA LTD (GB) 2008-04-09 CN disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 US disclosed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN disclosed
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN 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-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 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

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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 GSK3B 805/4885GSK3A 681/4885IGF1R 2352/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GSK3B 1166/4885GSK3A 1039/4885IGF1R 2074/4885

“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.