SCHEMBL1780282

SCHEMBL1780282

CC(C)(C)[Si](C)(C)OCCCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.44
GSK3A P49840 5/20 0.44
JAK2 O60674 2/20 0.44
CDK7 P50613 2/20 0.44
LRRK2 Q5S007 2/20 0.44
AURKB Q96GD4 2/20 0.44
LCK P06239 1/20 0.44
IGF1R P08069 1/20 0.44
BTK Q06187 1/20 0.44
CDK5 Q00535 9/20 0.42
AURKA O14965 1/20 0.42
ABL1 P00519 1/20 0.42
RET P07949 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
LIMK1 P53667 1/20 0.42
PTK2 Q05397 1/20 0.42
PRKAA1 Q13131 1/20 0.42
ROCK1 Q13464 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL1779885 0.94 GSK3B (0.45) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL1779842 0.87 GSK3B (0.62) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL1777901 0.81 GSK3B (0.64) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL1778012 0.81 GSK3B (0.45) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL1777373 0.81 GSK3B (0.49) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL1777779 0.81 GSK3B (0.49) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL3232213 0.81 GSK3B (0.49) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL1777710 0.81 CAMK2D (0.57) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL7640105 0.81 GSK3B (0.51) GSK3BGSK3AJAK2CDK7LRRK2
SCHEMBL27594639 0.78 GSK3B (0.51) GSK3BGSK3AJAK2CDK7LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP 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

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 681/4885JAK2 302/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 GSK3B 409/4885GSK3A 456/4885JAK2 337/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GSK3B 1166/4885GSK3A 1039/4885JAK2 333/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 GSK3B 187/4885GSK3A 176/4885JAK2 345/4885

“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.