SCHEMBL2960907

SCHEMBL2960907

CC(O)Oc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.81
PIK3CD O00329 2/20 0.73
PIK3CB P42338 2/20 0.73
PIK3CG P48736 1/20 0.73
ROCK2 O75116 2/20 0.51

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
SCHEMBL2470746 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1821760 0.87 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL2473407 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1821956 0.85 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1821106 0.85 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1823772 0.85 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1821854 0.85 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2468159 0.84 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL14748414 0.84 PIK3CA (0.82) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL1822839 0.84 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGROCK2

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-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 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-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA PIK3CA 8/4885PIK3CD 11/4885PIK3CB 17/4885

“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.