SCHEMBL1777816

SCHEMBL1777816

COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)NCC(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.45
PTGS2 P35354 2/20 0.43
SYK P43405 1/20 0.42
LCK P06239 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
CDK7 P50613 2/20 0.41
LRRK2 Q5S007 2/20 0.41
AURKB Q96GD4 2/20 0.41
JAK2 O60674 1/20 0.41
BTK Q06187 1/20 0.41
KMT2A Q03164 2/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNB2 O95067 1/20 0.41
RIPK1 Q13546 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HTR6 P50406 3/20 0.38

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
SCHEMBL1778716 0.92 IGF1R (0.46) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL1779996 0.90 IGF1R (0.48) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL1778425 0.85 IGF1R (0.47) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL12606272 0.85 IGF1R (0.48) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL1777665 0.85 IGF1R (0.53) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL1778051 0.85 IGF1R (0.47) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL1778394 0.84 IGF1R (0.47) IGF1RPTGS2SYKLCKGSK3A
SCHEMBL1778518 0.84 IGF1R (0.44) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL1778306 0.83 SYK (0.47) IGF1RSYKLCKGSK3AGSK3B
SCHEMBL1778977 0.83 IGF1R (0.48) IGF1RSYKLCKGSK3AGSK3B

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
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
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 IGF1R 1574/4885PTGS2 1532/4885SYK 836/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 IGF1R 1245/4885PTGS2 861/4885SYK 113/4885

“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.