SCHEMBL14725937

SCHEMBL14725937

Brc1cn2nc(C3CCOCC3)nc2c(N2CCOCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PIK3CA P42336 10/20 0.36
MTOR P42345 8/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PIK3R1 P27986 3/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
HTR2C P28335 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL12462793 0.84 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL14725935 0.78 ALDH1A1 (0.39) PIK3CAALDH1A1KDM4EPIK3R1POLB
SCHEMBL14725940 0.77 PIK3CA (0.39) PIK3CAMTORALDH1A1PIK3R1POLB
SCHEMBL14725934 0.77 PIK3R1 (0.39) PIK3CAMTORALDH1A1KDM4EGAA
SCHEMBL14725949 0.77 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL14725941 0.75 ALDH1A1 (0.37) PIK3CAMTORALDH1A1KDM4EGAA
SCHEMBL26071904 0.74 KDM4E (0.39) PIK3CAMTORALDH1A1KDM4EPIK3R1
SCHEMBL14725943 0.73 POLB (0.34) PIK3CAMTORALDH1A1PIK3R1POLB
SCHEMBL16881778 0.72 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL14725938 0.72 PIK3CA (0.47) PIK3CAALDH1A1KDM4EGAAPIK3R1

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 PDE4A 999/4885PDE4B 1021/4885PDE4C 1600/4885

“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.