SCHEMBL14725959

SCHEMBL14725959

Oc1cccc(-c2cn3cncc3c(N3CCOCC3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.64
PIK3R1 P27986 14/20 0.64
PIK3C2A O00443 1/20 0.49
PIK3C2B O00750 1/20 0.49
PRKDC P78527 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
MTOR P42345 2/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL18599114 0.89 PIK3CA (0.49) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL16881780 0.87 PIK3CA (0.53) PIK3CAPIK3R1MTOR
SCHEMBL14716698 0.84 CYP1A2 (0.50) PIK3CAPIK3R1PRKDC
SCHEMBL893488 0.78 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL631744 0.78 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL12463389 0.78 PIK3CA (0.59) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL633032 0.76 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL635443 0.76 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL12463435 0.76 PIK3CA (0.68) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL632118 0.75 PIK3CA (0.72) PIK3CAPIK3R1HDAC6MTOR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526102-B1 Inhibitors of PI3 kinase FUNDACIÓN CENTRO NAC DE INVESTIG ONCOLÓGICAS CARLOS III (ES) 2017-03-08 EP disclosed
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 28/4885PIK3C2A 3/4885

“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.