SCHEMBL3978650

SCHEMBL3978650

CN(C)CCCNS(=O)(=O)c1cccc(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
PRMT1 Q99873 1/20 0.58
ALOX15 P16050 1/20 0.57
CYP19A1 P11511 1/20 0.55
SFRP1 Q8N474 1/20 0.54
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ILK Q13418 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL2850682 0.91 PRMT1 (0.61) CA2CA12CA9PRMT1CYP19A1
SCHEMBL2851020 0.86 USP2 (0.60) CA2PRMT1CYP19A1KMT2A
SCHEMBL922624 0.84 PRMT1 (0.62) CA2CA12CA9PRMT1CYP19A1
SCHEMBL1565027 0.83 PRMT1 (0.73) CA2CA12CA9PRMT1CYP19A1
SCHEMBL31174173 0.83 PRMT1 (0.73) CA2CA12CA9PRMT1CYP19A1
SCHEMBL14938149 0.83 CA12 (0.58) CA2CA12CA9ALOX15SFRP1
SCHEMBL4070938 0.82 PRMT1 (0.61) CA2CA12CA9PRMT1CYP19A1
SCHEMBL1667391 0.82 CA12 (0.74) CA2CA12CA9PRMT1ALOX15
SCHEMBL4618353 0.82 SFRP1 (0.73) CA2CA12CA9ALOX15SFRP1
SCHEMBL10816772 0.82 CA12 (0.73) CA2CA12CA9ALOX15SFRP1

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 CA2 206/4885CA12 646/4885CA9 554/4885

“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.