SCHEMBL2961300

SCHEMBL2961300

Cc1nc(NC(=O)NCCC(=O)NCC(F)F)sc1-c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.56
PIK3CG P48736 9/20 0.56
PIK3CA P42336 8/20 0.56
PIK3CB P42338 8/20 0.56
PI4KB Q9UBF8 7/20 0.56
CLK2 P49760 2/20 0.44
DYRK3 O43781 2/20 0.44
MAP4K4 O95819 2/20 0.44
DYRK1A Q13627 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CLK1 P49759 2/20 0.38
CYP2D6 P10635 1/20 0.38
XIAP P98170 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KIFC1 Q9BW19 1/20 0.36
AHR P35869 1/20 0.35

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
SCHEMBL2952036 0.88 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2321622 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2957891 0.88 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2325170 0.88 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2360404 0.87 PIK3CG (0.60) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2328738 0.86 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2320863 0.85 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2948810 0.85 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2361131 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2331206 0.80 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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 4 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
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 3/4885PIK3CG 10/4885PIK3CA 4/4885

“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.