SCHEMBL1303848

SCHEMBL1303848

CC(C)n1nnc(CCNC(=O)Nc2cn3nc(Br)ccc3n2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.35
PIK3CG P48736 3/20 0.35
PIK3CA P42336 3/20 0.35
NAMPT P43490 2/20 0.34
PIK3CB P42338 2/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
RIPK1 Q13546 11/20 0.33
CSNK1D P48730 3/20 0.33
CSNK1E P49674 3/20 0.33

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
SCHEMBL1302544 0.87 PIK3CA (0.43) PIK3CDPIK3CGPIK3CAPIK3CBCLK1
SCHEMBL1303814 0.85 MAP3K5 (0.46) PIK3CDPIK3CGPIK3CAPIK3CBCLK1
SCHEMBL1303320 0.82 PIK3CA (0.51) PIK3CDPIK3CGPIK3CARIPK1CSNK1D
SCHEMBL1303473 0.79 MAP3K5 (0.48) PIK3CDPIK3CGPIK3CAPIK3CBCLK1
SCHEMBL1303556 0.79 RIPK1 (0.45) PIK3CDPIK3CGPIK3CARIPK1
SCHEMBL3688011 0.78 PIK3CG (0.33) PIK3CDPIK3CGPIK3CAPIK3CBCLK1
SCHEMBL1302482 0.78 CLK2 (0.47) PIK3CDPIK3CGPIK3CANAMPTPIK3CB
SCHEMBL1302775 0.77 MAP3K5 (0.40) PIK3CDPIK3CGPIK3CAPIK3CBCLK1
SCHEMBL1303382 0.76 PIK3CA (0.40) PIK3CDPIK3CGPIK3CAPIK3CBCLK1
SCHEMBL1303861 0.76 PIK3CA (0.39) PIK3CDPIK3CGPIK3CAPIK3CBCLK1

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 PIK3CD 9/4885PIK3CG 11/4885PIK3CA 1/4885

“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.