SCHEMBL2328306

SCHEMBL2328306

CON(C)C(=O)c1ccc(-c2sc(NC(=O)NCCC(=O)NC(C)(C)C)nc2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.75
PI4KB Q9UBF8 11/20 0.75
PIK3CG P48736 9/20 0.75
PIK3CA P42336 8/20 0.75
PIK3CB P42338 8/20 0.75
CLK2 P49760 2/20 0.44
DYRK3 O43781 1/20 0.44
MAP4K4 O95819 1/20 0.44
DYRK1A Q13627 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KIFC1 Q9BW19 1/20 0.38
CLK1 P49759 1/20 0.38

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
SCHEMBL2323951 0.86 PIK3CD (1.00) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL2324641 0.84 PIK3CD (0.81) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL2359614 0.84 PIK3CD (0.81) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL2952159 0.83 PIK3CD (0.77) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL12991834 0.81 PIK3CG (0.77) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL2948810 0.81 PIK3CD (0.77) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL10100246 0.81 PIK3CD (0.90) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL2324166 0.81 PIK3CD (0.76) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL2360347 0.76 PIK3CG (0.48) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB
SCHEMBL2359821 0.75 PIK3CG (0.46) PIK3CDPI4KBPIK3CGPIK3CAPIK3CB

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
EP-2357179-A1 Thiazol-2-yl organic compounds Novartis AG (CH) 2011-08-17 EP claimed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US claimed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US claimed
EP-1966175-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-09-10 EP claimed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 WO claimed

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-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD PIK3CD 3/4885PI4KB 62/4885PIK3CG 10/4885

“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.