SCHEMBL1777873

SCHEMBL1777873

Cc1noc(C)c1-c1ccnc2[nH]c(-c3cn(C)c4ccc(C(=O)O)cc34)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
IGF1R P08069 4/20 0.44
BTK Q06187 3/20 0.44
LCK P06239 3/20 0.44
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
CDK7 P50613 3/20 0.44
LRRK2 Q5S007 3/20 0.44
AURKB Q96GD4 3/20 0.44
JAK2 O60674 2/20 0.44
BRD4 O60885 3/20 0.40
SCN9A Q15858 1/20 0.39
TBK1 Q9UHD2 3/20 0.38
BRD2 P25440 1/20 0.37
MAPK8 P45983 7/20 0.36
CDK9 P50750 3/20 0.36
AURKA O14965 2/20 0.36
PAK4 O96013 2/20 0.36
ABL1 P00519 2/20 0.36
NTRK1 P04629 2/20 0.36

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
SCHEMBL12605855 0.86 SYK (0.45) SYKIGF1RBTKLCKGSK3A
SCHEMBL1782178 0.84 IGF1R (0.66) IGF1RBTKLCKGSK3AGSK3B
SCHEMBL1779828 0.82 BRD4 (0.41) BTKBRD4TBK1BRD2MAPK8
SCHEMBL1777186 0.81 GSK3B (0.65) SYKIGF1RBTKLCKGSK3A
SCHEMBL1779044 0.80 IGF1R (0.54) SYKIGF1RBTKLCKGSK3A
SCHEMBL1779619 0.80 SYK (0.50) SYKIGF1RBTKLCKGSK3A
SCHEMBL1777345 0.78 SYK (0.48) SYKIGF1RBTKLCKGSK3A
SCHEMBL1779995 0.75 SCN9A (0.39) BTKBRD4SCN9ABRD2P2RY14
SCHEMBL1779125 0.75 SYK (0.71) SYKIGF1RBTKLCKGSK3A
2-Fluoroethanaminium SCHEMBL7694195 0.75 GSK3B (0.58) SYKIGF1RBTKLCKGSK3A

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 15 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
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
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-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP 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 (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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 SYK 836/4885IGF1R 1574/4885BTK 298/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 SYK 113/4885IGF1R 1245/4885BTK 294/4885

“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.