SCHEMBL14725947

SCHEMBL14725947

CS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)c(Cl)n3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
PIK3R1 P27986 16/20 1.00
MTOR P42345 11/20 1.00
PIK3CB P42338 11/20 1.00
PIK3CD O00329 11/20 1.00
PIK3CG P48736 10/20 1.00
RPTOR Q8N122 1/20 0.52
MLST8 Q9BVC4 1/20 0.52

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
SCHEMBL10092215 0.84 PIK3R1 (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL2146884 0.84 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL14725945 0.82 PIK3R1 (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL15602949 0.78 PIK3R1 (0.84) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL15603063 0.77 PIK3CA (0.85) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL16882231 0.77 PIK3CA (0.71) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL15602997 0.77 PIK3R1 (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL15602961 0.76 PIK3R1 (0.78) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL14725957 0.76 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CD
SCHEMBL10100540 0.75 PIK3R1 (0.83) PIK3CAPIK3R1MTORPIK3CBPIK3CD

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 28/4885MTOR 2/4885

“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.