SCHEMBL1779796

SCHEMBL1779796

Cn1nnnc1-c1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.59
SYK P43405 1/20 0.53
GSK3B P49841 4/20 0.47
CDK7 P50613 4/20 0.47
LRRK2 Q5S007 4/20 0.47
AURKB Q96GD4 4/20 0.47
LCK P06239 3/20 0.47
GSK3A P49840 3/20 0.47
JAK2 O60674 3/20 0.47
BTK Q06187 1/20 0.47
RIPK1 Q13546 9/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CLK2 P49760 3/20 0.42
DYRK1A Q13627 2/20 0.42
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
AURKA O14965 3/20 0.41

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
SCHEMBL1779325 0.83 IGF1R (0.63) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL1779919 0.83 IGF1R (0.60) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL28757494 0.82 IGF1R (0.62) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL1779226 0.81 IGF1R (0.60) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL1776973 0.80 IGF1R (0.59) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL1777168 0.80 IGF1R (0.74) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL22067931 0.79 IGF1R (0.67) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL1777660 0.79 IGF1R (0.67) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL1777423 0.79 IGF1R (0.67) IGF1RSYKGSK3BCDK7LRRK2
SCHEMBL1777888 0.78 IGF1R (0.65) IGF1RSYKGSK3BCDK7LRRK2

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-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
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
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-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
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 (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 IGF1R 2352/4885SYK 1822/4885GSK3B 805/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 IGF1R 1574/4885SYK 836/4885GSK3B 409/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 IGF1R 2074/4885SYK 1896/4885GSK3B 1166/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 IGF1R 1245/4885SYK 113/4885GSK3B 187/4885

“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.