SCHEMBL3973870

SCHEMBL3973870

CC(C)N1CCN(c2ccc(N)cc2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 5/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 2/20 0.37
GFER P55789 3/20 0.37
GAA P10253 3/20 0.37
ADRA2C P18825 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
PARP1 P09874 1/20 0.36
CASP6 P55212 1/20 0.36
ESRRG P62508 1/20 0.35
ALK Q9UM73 1/20 0.35
FLT3 P36888 1/20 0.34

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
SCHEMBL4255218 0.88 ALDH1A1 (0.46) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL23176630 0.87 LMNA (0.44) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL13256438 0.85 NPC1 (0.50) HRH3DDB1CRBNKDM4EMAPT
SCHEMBL23384132 0.83 POLB (0.46) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL3974009 0.81 DDB1 (0.46) DDB1CRBNKDM4EMAPTALDH1A1
SCHEMBL23176518 0.81 HRH3 (0.38) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL23176519 0.81 HRH3 (0.36) HRH3KDM4EMAPTALDH1A1PKM
SCHEMBL29758034 0.81 HRH3 (0.41) HRH3PKMKMT2AMEN1GAA
SCHEMBL4079481 0.80 SIRT6 (0.44) KDM4EMAPTALDH1A1PKMKMT2A
SCHEMBL17055336 0.80 HRH3 (0.39) HRH3KDM4EMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP disclosed
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 HRH3 764/4885DDB1 1249/4885CRBN 1846/4885

“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.