SCHEMBL14716607

SCHEMBL14716607

COc1cccc(-c2cn3c[n+](C)cc3c(=O)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DCLK1 O15075 1/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PIM1 P11309 1/20 0.46
CSNK1D P48730 1/20 0.46
CDK5 Q00535 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
STK17A Q9UEE5 1/20 0.46
SERPINE1 P05121 1/20 0.43
LMNA P02545 1/20 0.41
BRD4 O60885 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL15287198 0.80 TNKS (0.53) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL4304287 0.78 GAA (0.49) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL2147114 0.77 TNKS (0.56) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL8018250 0.71 TNKS (0.46) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL15614401 0.70 GAA (0.64) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL4302703 0.69 AVPR1B (0.58) ALDH1A1KDM4EL3MBTL1
SCHEMBL8254902 0.67 GAA (0.64) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL14725967 0.66 ALDH1A1 (0.53) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL15287398 0.65 TNKS (0.64) GAAALDH1A1KDM4EGLALMNA
SCHEMBL9526447 0.64 GAA (1.00) GAAALDH1A1KDM4EGLAL3MBTL1

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 GAA 1384/4885ALDH1A1 2425/4885KDM4E 2475/4885

“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.