SCHEMBL2952159

SCHEMBL2952159

Cc1nc(NC(=O)NCCC(=O)NC(C)(C)C)sc1-c1ccc(C(=O)NC(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.77
PIK3CA P42336 8/20 0.77
PIK3CB P42338 8/20 0.77
PIK3CG P48736 8/20 0.77
PI4KB Q9UBF8 8/20 0.77
CLK2 P49760 2/20 0.45
DYRK3 O43781 2/20 0.45
MAP4K4 O95819 2/20 0.45
DYRK1A Q13627 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
KIFC1 Q9BW19 3/20 0.43
XIAP P98170 1/20 0.41
CLK1 P49759 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3C2A O00443 1/20 0.38
PIK3C2B O00750 1/20 0.38
CDK9 P50750 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
SCHEMBL2360015 0.91 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2359614 0.89 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2323951 0.87 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2322047 0.87 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2361131 0.86 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2324166 0.86 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2324641 0.85 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2328306 0.83 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL12991834 0.83 PIK3CG (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2948810 0.83 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3/4885PIK3CA 4/4885PIK3CB 11/4885

“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.