SCHEMBL14725943

SCHEMBL14725943

CC(O)c1nc2c(N3CCOCC3)nc(Br)cn2n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CA P42336 10/20 0.34
PIK3R1 P27986 7/20 0.34
MTOR P42345 4/20 0.34
TSHR P16473 1/20 0.33
CFTR P13569 1/20 0.33
HTR2C P28335 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PDE10A Q9Y233 1/20 0.32
CRHR1 P34998 1/20 0.31

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
SCHEMBL14725935 0.80 ALDH1A1 (0.39) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL16882226 0.77 PIK3CA (0.57) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL14725940 0.76 PIK3CA (0.39) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL26071904 0.75 KDM4E (0.39) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL14725934 0.74 PIK3R1 (0.39) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL14725941 0.74 ALDH1A1 (0.37) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL14725937 0.73 PDE4A (0.36) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL26072504 0.72 ALOX15 (0.45) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL14725938 0.71 PIK3CA (0.47) POLBALDH1A1MAPK1PIK3CAPIK3R1
SCHEMBL14725939 0.69 PIK3R1 (0.36) POLBALDH1A1MAPK1PIK3CAPIK3R1

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 POLB 1069/4885ALDH1A1 2425/4885MAPK1 138/4885

“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.