SCHEMBL1777871

SCHEMBL1777871

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.62
GSK3A P49840 7/20 0.62
CDK7 P50613 5/20 0.62
AURKB Q96GD4 5/20 0.62
IGF1R P08069 5/20 0.62
LCK P06239 4/20 0.62
LRRK2 Q5S007 4/20 0.62
JAK2 O60674 4/20 0.62
BTK Q06187 1/20 0.62
SYK P43405 3/20 0.50
CDK5 Q00535 7/20 0.46
CDK9 P50750 5/20 0.46
AURKA O14965 4/20 0.46
ABL1 P00519 4/20 0.46
RET P07949 4/20 0.46
FLT3 P36888 4/20 0.46
PRKAA1 Q13131 4/20 0.46
PAK4 O96013 3/20 0.46
NTRK1 P04629 3/20 0.46
FYN P06241 3/20 0.46

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
SCHEMBL1777186 0.88 GSK3B (0.65) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL3104144 0.86 GSK3B (0.69) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1777132 0.86 GSK3B (0.63) GSK3BGSK3ACDK7AURKBIGF1R
Dimethylformamide SCHEMBL27594724 0.86 GSK3B (0.58) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1777448 0.85 GSK3B (0.55) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1778056 0.84 GSK3B (0.58) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL27709362 0.82 GSK3B (0.61) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1778665 0.82 GSK3B (0.58) GSK3BGSK3ACDK7AURKBIGF1R
2-Fluoroethanaminium SCHEMBL7694195 0.82 GSK3B (0.58) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1778155 0.81 GSK3B (0.57) GSK3BGSK3ACDK7AURKBIGF1R

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 24 patents — showing the first 20. 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
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
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-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 (3 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 GSK3B 409/4885GSK3A 456/4885CDK7 2/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GSK3B 1166/4885GSK3A 1039/4885CDK7 6/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 GSK3B 187/4885GSK3A 176/4885CDK7 166/4885

“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.