SCHEMBL1779751

SCHEMBL1779751

OCCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.51
CDK5 Q00535 9/20 0.51
CDK5R1 Q15078 8/20 0.51
CCNB2 O95067 8/20 0.50
CDK1 P06493 8/20 0.50
CCNB1 P14635 8/20 0.50
CCNB3 Q8WWL7 8/20 0.50
GSK3A P49840 5/20 0.50
JAK2 O60674 2/20 0.47
CDK7 P50613 2/20 0.47
LRRK2 Q5S007 2/20 0.47
AURKB Q96GD4 2/20 0.47
KDR P35968 2/20 0.47
FLT3 P36888 2/20 0.47
LCK P06239 1/20 0.47
IGF1R P08069 1/20 0.47
BTK Q06187 1/20 0.47
AURKA O14965 1/20 0.47
ABL1 P00519 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL1777779 0.93 GSK3B (0.49) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1776780 0.90 GSK3B (0.53) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL7640105 0.88 GSK3B (0.51) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL27594639 0.88 GSK3B (0.51) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1777710 0.86 CAMK2D (0.57) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1777373 0.86 GSK3B (0.49) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL3232213 0.86 GSK3B (0.49) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1778085 0.82 GSK3B (0.73) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1779584 0.82 CAMK2D (0.44) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL12606375 0.82 GSK3B (0.43) GSK3BCDK5CDK5R1CCNB2CDK1

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 28 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
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN 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
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
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 CN 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 409/4885CDK5 30/4885CDK5R1 91/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GSK3B 1166/4885CDK5 35/4885CDK5R1 37/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 GSK3B 187/4885CDK5 200/4885CDK5R1 314/4885

“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.