SCHEMBL1776983

SCHEMBL1776983

COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)N1CCN(CCOCCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.50
DRD2 P14416 12/20 0.50
IGF1R P08069 2/20 0.44
SYK P43405 1/20 0.42
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
RIPK1 Q13546 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 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
SCHEMBL1778626 0.93 DRD3 (0.53) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1778941 0.89 DRD2 (0.48) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1778546 0.89 IGF1R (0.49) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1779375 0.88 DRD3 (0.47) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1780095 0.87 IGF1R (0.48) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1777094 0.86 IGF1R (0.48) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1778853 0.86 ALDH1A1 (0.45) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1777330 0.85 POLB (0.46) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1779504 0.85 IGF1R (0.47) DRD3DRD2IGF1RSYKJAK2
SCHEMBL1778184 0.85 RAB9A (0.49) DRD3DRD2IGF1RSYKJAK2

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 12 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
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 DRD3 2692/4885DRD2 2070/4885IGF1R 1574/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 DRD3 4734/4885DRD2 4743/4885IGF1R 1245/4885

“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.