SCHEMBL3974009

SCHEMBL3974009

CC(C)N1CCN(c2cccc(N)c2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ADRA2C P18825 1/20 0.44
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
KCNH2 Q12809 4/20 0.43
CACNA2D1 P54289 6/20 0.41
SLC6A2 P23975 5/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.39
HDAC4 P56524 1/20 0.37

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
SCHEMBL4256391 0.88 ALDH1A1 (0.47) SLC6A2MAPTKDM4EMEN1ALDH1A1
SCHEMBL13256438 0.83 NPC1 (0.50) DDB1CRBNDRD2DRD3KCNH2
SCHEMBL3973870 0.81 HRH3 (0.41) DDB1CRBNADRA2CMAPTKDM4E
SCHEMBL1203051 0.80 ADRA2C (0.60) DDB1CRBNADRA2CDRD2DRD3
SCHEMBL3971995 0.80 ALDH1A1 (0.52) SLC6A2MAPTKDM4EMEN1ALDH1A1
SCHEMBL2452440 0.78 ADRA2C (0.66) DDB1CRBNADRA2CMAPTKDM4E
SCHEMBL4496901 0.77 DRD3 (0.40) DRD2DRD3KCNH2CACNA2D1SLC6A2
SCHEMBL2634821 0.77 DDB1 (0.46) DDB1CRBNADRA2CCACNA2D1SLC6A2
SCHEMBL23176630 0.75 LMNA (0.44) DRD2DRD3KCNH2MAPTKDM4E
SCHEMBL15273560 0.74 DDB1 (0.65) DDB1CRBNADRA2CMAPTKDM4E

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
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-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO 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 DDB1 1249/4885CRBN 1846/4885ADRA2C 3199/4885

“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.