SCHEMBL14725944

SCHEMBL14725944

CS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)cn3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.75
PIK3R1 P27986 15/20 0.75
PIK3CD O00329 12/20 0.75
KCNH2 Q12809 2/20 0.75
PIK3CB P42338 4/20 0.63
MTOR P42345 2/20 0.63
PIK3CG P48736 2/20 0.63
PIK3C2A O00443 1/20 0.59
PLK4 O00444 1/20 0.59
PIK3R2 O00459 1/20 0.59
PIK3C2B O00750 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
DAPK3 O43293 1/20 0.59
STK16 O75716 1/20 0.59
PIK3C2G O75747 1/20 0.59
NTRK1 P04629 1/20 0.59
NQO2 P16083 1/20 0.59
CSNK2A2 P19784 1/20 0.59
JAK1 P23458 1/20 0.59

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
SCHEMBL10092217 0.86 PIK3R1 (1.00) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL15603028 0.84 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL10100544 0.81 PIK3CA (0.70) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL15603074 0.80 PIK3R1 (0.89) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL19549660 0.79 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL18599126 0.79 PIK3R1 (0.64) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL15603024 0.79 PIK3R1 (0.86) PIK3CAPIK3R1PIK3CDKCNH2
SCHEMBL15602948 0.78 PIK3R1 (0.85) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL15603052 0.78 PIK3R1 (0.85) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL5556448 0.78 PIK3CA (0.73) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB

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 28/4885PIK3CD 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.