SCHEMBL3977017

SCHEMBL3977017

CN(C)/C=C/C(=O)c1ccc(C(=O)NCCN(C)C)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 3/20 0.55
KMT2A Q03164 2/20 0.55
AKT3 Q9Y243 1/20 0.48
HTR2C P28335 1/20 0.48
CA2 P00918 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
RAD52 P43351 1/20 0.40
PAX8 Q06710 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL3977024 1.00 MAPK1 (0.62) MAPK1ALDH1A1KDM4EGAAKMT2A
SCHEMBL3973430 0.82 HDAC3 (0.58) ALDH1A1KDM4EGAAKMT2AAKT3
SCHEMBL3973421 0.82 HDAC3 (0.58) ALDH1A1KDM4EGAAKMT2AAKT3
SCHEMBL3969851 0.81 MAPK1 (0.70) MAPK1ALDH1A1KDM4EGAAKMT2A
SCHEMBL3977014 0.81 ALDH1A1 (0.49) MAPK1ALDH1A1KDM4EGAAKMT2A
SCHEMBL3977008 0.81 ALDH1A1 (0.49) MAPK1ALDH1A1KDM4EGAAKMT2A
SCHEMBL3971128 0.80 HDAC3 (0.55) MAPK1ALDH1A1KDM4EGAAKMT2A
SCHEMBL3978597 0.80 HDAC3 (0.55) MAPK1ALDH1A1KDM4EGAAKMT2A
SCHEMBL13992633 0.80 RAB9A (0.64) ALDH1A1KDM4EGAAKMT2AAKT3
SCHEMBL12124400 0.78 MAPK1 (0.70) MAPK1ALDH1A1KDM4EKMT2AAKT3

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 6 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
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 MAPK1 3452/4885ALDH1A1 3516/4885KDM4E 882/4885

“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.