SCHEMBL1304202

SCHEMBL1304202

CC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4cncc(C#N)c4)ccc3n2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.37
LRRK2 Q5S007 2/20 0.37
PIK3CG P48736 8/20 0.36
PIK3CD O00329 7/20 0.36
PIK3CB P42338 5/20 0.36
MAP3K5 Q99683 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
ABL1 P00519 1/20 0.34
CLK2 P49760 2/20 0.34
CLK1 P49759 1/20 0.34
AKT1 P31749 1/20 0.34
MTOR P42345 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
SCHEMBL1303623 0.89 PIK3CA (0.39) PIK3CALRRK2PIK3CGPIK3CDPIK3CB
SCHEMBL1302407 0.88 MAP3K5 (0.44) PIK3CAPIK3CGPIK3CDPIK3CBMAP3K5
SCHEMBL1303861 0.88 PIK3CA (0.39) PIK3CALRRK2PIK3CGPIK3CDPIK3CB
SCHEMBL1303178 0.88 PIK3CA (0.40) PIK3CAPIK3CGPIK3CDPIK3CBMAP3K5
SCHEMBL1303427 0.88 MAP3K5 (0.41) PIK3CAPIK3CGPIK3CDPIK3CBMAP3K5
SCHEMBL1302775 0.87 MAP3K5 (0.40) PIK3CAPIK3CGPIK3CDPIK3CBMAP3K5
SCHEMBL1303043 0.86 PIK3CG (0.44) PIK3CAPIK3CGPIK3CDPIK3CBPI4KB
SCHEMBL1303433 0.86 PIK3CD (0.41) PIK3CAPIK3CGPIK3CDPIK3CBMAP3K5
SCHEMBL1304051 0.85 PIK3CA (0.46) PIK3CAPIK3CGPIK3CDPIK3CBMAP3K5
SCHEMBL1303642 0.85 MAP3K5 (0.52) PIK3CAPIK3CGMAP3K5CLK2CLK1

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-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB PIK3CA 1/4885LRRK2 1164/4885PIK3CG 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.