SCHEMBL1777482

SCHEMBL1777482

COc1ccc2[nH]cc(-c3cc4c(C(=O)O)ccnc4[nH]3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
NR4A2 P43354 1/20 0.49
MAP3K14 Q99558 1/20 0.48
DYRK1A Q13627 2/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
KDM4C Q9H3R0 2/20 0.47
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
CPT1A P50416 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1777004 0.91 KDM4E (0.53) LMNANR4A2MAP3K14DYRK1ACLK1
SCHEMBL1777605 0.90 NR4A2 (0.47) LMNANR4A2MAP3K14DYRK1ACLK1
Potassium Ion SCHEMBL1779429 0.90 NR4A2 (0.47) LMNANR4A2MAP3K14DYRK1ACLK1
SCHEMBL13157658 0.89 NR4A2 (0.46) LMNANR4A2MAP3K14DYRK1ACLK1
SCHEMBL1778147 0.87 NR4A2 (0.47) LMNANR4A2MAP3K14DYRK1ACLK1
SCHEMBL1777397 0.85 KDM4E (0.60) LMNANR4A2MAP3K14DYRK1ACLK1
SCHEMBL1779530 0.83 MAP3K14 (0.53) NR4A2MAP3K14DYRK1ACLK1CLK2
SCHEMBL1779702 0.82 MAP3K14 (0.52) LMNANR4A2MAP3K14DYRK1ACLK1
SCHEMBL1776942 0.80 MAP3K14 (0.49) LMNAMAP3K14DYRK1ACLK1CLK2
SCHEMBL1777230 0.79 IGF1R (0.66) LMNACDK5CLK4KDM4CKDM5A

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 LMNA 3913/4885NR4A2 2728/4885MAP3K14 55/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 LMNA 3686/4885NR4A2 2723/4885MAP3K14 14/4885

“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.