SCHEMBL4779922

SCHEMBL4779922

Cc1ccc(CN2CCOCC2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
NCF1 P14598 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
NOS1 P29475 2/20 0.49
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49
CYP2A13 Q16696 1/20 0.49
TSHR P16473 3/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
TNKS O95271 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
JAK2 O60674 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4974297 0.87 HTT (0.55) HRH3NCF1SMN1; SMN2HTTNOS1
SCHEMBL546487 0.85 HRH3 (0.59) HRH3NCF1SMN1; SMN2HTTNOS1
SCHEMBL30059176 0.85 HRH3 (0.59) HRH3NCF1SMN1; SMN2HTTNOS1
SCHEMBL21383115 0.85 ALDH1A1 (0.55) HRH3NCF1SMN1; SMN2HTTKDM4E
SCHEMBL16883444 0.85 HRH3 (0.59) HRH3NCF1SMN1; SMN2HTTNOS1
SCHEMBL31129930 0.84 SIGMAR1 (0.59) HRH3NPC1MAPK1ALDH1A1
SCHEMBL6733401 0.83 ALDH1A1 (0.58) HRH3SMN1; SMN2HTTKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL548075 0.83 HRH3 (0.58) HRH3NCF1SMN1; SMN2HTTNOS1
SCHEMBL13161945 0.83 HRH3 (0.62) HRH3NCF1SMN1; SMN2HTTNOS1
SCHEMBL22169184 0.82 LMNA (0.62) NCF1NPC1TP53RAB9ATNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 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
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

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 764/4885NCF1 3487/4885SMN1; SMN2 4119/4885

“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.