SCHEMBL14725993

SCHEMBL14725993

COc1ccc(CNc2ncc(-c3cn4nc(CN5C[C@H]6CNC[C@@H]6C5)cc4c(N4CCOCC4)n3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.51
PIK3R1 P27986 10/20 0.51
PIK3CD O00329 2/20 0.51
PIK3CB P42338 2/20 0.51
MTOR P42345 2/20 0.51
PIK3CG P48736 2/20 0.51
ACP1 P24666 1/20 0.38
RAB9A P51151 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
PTGDR Q13258 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2147441 0.92 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL16881783 0.86 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL2146894 0.86 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL2147209 0.81 PIK3CA (0.70) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL2147443 0.81 PIK3CA (0.44) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL14725987 0.75 PIK3R1 (0.69) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL14725988 0.73 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL16881786 0.73 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL18599356 0.71 PIK3CA (0.45) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL2146765 0.71 PIK3CA (0.80) PIK3CAPIK3R1PIK3CDPIK3CBMTOR

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-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 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-20130053371-A1 INHIBITORS OF PI3 KINASE PIK3CA, MTOR, PIK3C2A PIK3CA 1/4885PIK3R1 28/4885PIK3CD 10/4885

“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.