SCHEMBL4929463

SCHEMBL4929463

COc1ccc(Nc2nccc(-c3ccc(C(=O)N[C@H](C)c4ccccc4)s3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.52
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
MAP4K4 O95819 1/20 0.52
PRKACA P17612 1/20 0.52
GRK5 P34947 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CDK8 P49336 1/20 0.52
RPS6KA3 P51812 1/20 0.52
PRKX P51817 1/20 0.52
PRKCQ Q04759 1/20 0.52
ACVR1 Q04771 1/20 0.52
ROCK1 Q13464 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
MAPT P10636 2/20 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
SCHEMBL4929513 1.00 AURKB (0.52) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL12423603 0.89 HDAC3 (0.50) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL12423321 0.87 AURKB (0.51) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL2198512 0.87 AURKB (0.51) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL13181306 0.85 CAMK2D (0.47) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL12423602 0.85 HDAC3 (0.48) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL14619419 0.84 PIK3CA (0.44) AURKBGSK3AGSK3BACVR1MAPT
SCHEMBL12423703 0.83 C5 (0.46) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL13052286 0.83 C5 (0.46) AURKBGSK3AGSK3BCHEK1AURKA
SCHEMBL12423237 0.83 CAMK2D (0.48) AURKBGSK3AGSK3BCHEK1AURKA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN AURKB 1197/4885GSK3A 2121/4885GSK3B 1469/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB AURKB 3/4885GSK3A 1028/4885GSK3B 1211/4885

“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.