SCHEMBL3974029

SCHEMBL3974029

CC(=O)c1ccc(C(=O)NCC(C)(C)CN(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
GSK3B P49841 1/20 0.41
KCNA5 P22460 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3977014 0.82 ALDH1A1 (0.49) KDM4ETSHRALDH1A1GAACYP2D6
SCHEMBL3977008 0.82 ALDH1A1 (0.49) KDM4ETSHRALDH1A1GAACYP2D6
SCHEMBL6383504 0.79 KDM4E (0.42) KDM4ETSHRALDH1A1GAACYP2D6
SCHEMBL3969851 0.76 MAPK1 (0.70) KDM4EALDH1A1GAACYP2D6MAPK1
SCHEMBL4929947 0.74 AKT3 (0.52) KDM4EALDH1A1GAACYP2D6CYP2C9
SCHEMBL17401233 0.73 HDAC6 (0.65) KDM4ETSHRALDH1A1GAAMAPK1
SCHEMBL14500184 0.72 NPC1 (0.50) KDM4EALDH1A1GAACYP2D6CYP2C9
SCHEMBL6390977 0.72 GSK3B (0.50) KDM4ETSHRALDH1A1GAAMAPK1
SCHEMBL3542006 0.71 EPHX2 (0.51) KDM4ETSHRALDH1A1GAACYP2D6
SCHEMBL3115266 0.71 KDM4E (0.48) KDM4ETSHRALDH1A1GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP 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
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-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (1 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-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 KDM4E 882/4885TSHR 4178/4885ALDH1A1 3516/4885

“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.