SCHEMBL14725934

SCHEMBL14725934

ClCc1nc2c(N3CCOCC3)nc(Br)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE10A Q9Y233 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SLC29A1 Q99808 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL14725940 0.86 PIK3CA (0.39) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL18599838 0.84 PIK3R1 (0.43) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL18599841 0.84 PIK3R1 (0.39) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL14725935 0.79 ALDH1A1 (0.39) PIK3R1PIK3CAPOLBALDH1A1MAPK1
SCHEMBL14725939 0.78 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL14725937 0.77 PDE4A (0.36) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL14725942 0.76 PIK3R1 (0.68) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL10092212 0.76 PIK3R1 (0.45) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL14725941 0.76 ALDH1A1 (0.37) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL26071904 0.75 KDM4E (0.39) PIK3R1PIK3CAPIK3CDPIK3CBMTOR

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 PIK3R1 28/4885PIK3CA 1/4885PIK3CD 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.