SCHEMBL379047

SCHEMBL379047

CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 1.00
GSK3B P49841 19/20 1.00
CDK1 P06493 18/20 1.00
MAPK8 P45983 3/20 1.00
CDK2 P24941 3/20 1.00
AURKA O14965 2/20 1.00
MAP4K4 O95819 2/20 1.00
PAK4 O96013 2/20 1.00
ABL1 P00519 2/20 1.00
FYN P06241 2/20 1.00
RET P07949 2/20 1.00
KDR P35968 2/20 1.00
CDK8 P49336 2/20 1.00
ACVR1 Q04771 2/20 1.00
PTK2 Q05397 2/20 1.00
LRRK2 Q5S007 2/20 1.00
ALK Q9UM73 2/20 1.00
CDC7 O00311 1/20 1.00
PLK4 O00444 1/20 1.00
CHEK1 O14757 1/20 1.00

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
SCHEMBL12205754 0.90 GSK3A (0.82) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL27824304 0.84 GSK3A (0.72) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL13502526 0.81 GSK3A (1.00) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL1778374 0.79 GSK3A (0.65) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL3580619 0.77 GSK3A (0.63) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL3587782 0.77 GSK3A (0.66) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL1778992 0.76 GSK3A (0.62) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL3100624 0.75 GSK3A (0.70) GSK3AGSK3BCDK1MAPK8CDK2
Iodide SCHEMBL5618949 0.75 GSK3A (0.60) GSK3AGSK3BCDK1MAPK8CDK2
SCHEMBL1778404 0.75 GSK3A (0.59) GSK3AGSK3BCDK1MAPK8CDK2

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102316868-A METHOD FOR TREATING MACULAR DEGENERATION SANOFI AVENTIS 2012-01-11 CN claimed
EP-2370077-A2 METHOD FOR TREATING MACULAR DEGENERATION SANOFI (FR) 2011-10-05 EP claimed
WO-2010080563-A2 METHOD FOR TREATING MACULAR DEGENERATION SANOFI-AVENTIS (FR) 2010-07-15 WO claimed
US-20140142110-A1 KINASE INHIBITOR SANOFI (FR) 2014-05-22 US disclosed
US-20140142110-A1 KINASE INHIBITOR SANOFI (FR) 2014-05-22 US disclosed
US-20140142110-A1 KINASE INHIBITOR SANOFI (FR) 2014-05-22 US disclosed
US-8658649-B2 Kinase inhibitor SANOFI (FR) 2014-02-25 US disclosed
US-8658649-B2 Kinase inhibitor SANOFI (FR) 2014-02-25 US disclosed
US-8658649-B2 Kinase inhibitor SANOFI (FR) 2014-02-25 US disclosed
EP-2653193-A1 Method for treating macular degeneration SANOFI (FR) 2013-10-23 EP disclosed
EP-2653193-A1 Method for treating macular degeneration SANOFI (FR) 2013-10-23 EP disclosed
US-20100035884-A1 KINASE INHIBITOR SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
US-20100035884-A1 KINASE INHIBITOR SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
US-20100035884-A1 KINASE INHIBITOR SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
WO-2009114373-A1 TREATMENT FOR OCULAR-RELATED DISORDERS SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed
WO-2009114373-A1 TREATMENT FOR OCULAR-RELATED DISORDERS SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed
EP-2094708-A2 A PYRROLOPYRAZIN AS SYK-KINASE INHIBITOR Sanofi-Aventis (FR) 2009-09-02 EP disclosed
CN-101511838-A Pyrrolopyrazines as SYK-kinase inhibitors SANOFI AVENTIS (FR) 2009-08-19 CN disclosed
WO-2008033798-A2 A PYRROLOPYRAZIN AS SYK-KINASE INHIBITOR SANOFI-AVENTIS (FR) 2008-03-20 WO disclosed
WO-2008033798-A2 A PYRROLOPYRAZIN AS SYK-KINASE INHIBITOR SANOFI-AVENTIS (FR) 2008-03-20 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-20100035884-A1 KINASE INHIBITOR MAP3K1, MAP3K20, MAP3K19 GSK3A 276/4885GSK3B 266/4885CDK1 37/4885
US-20140142110-A1 KINASE INHIBITOR MAP3K1, MAP3K20, MAP3K19 GSK3A 276/4885GSK3B 266/4885CDK1 37/4885

“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.