SCHEMBL2147114

SCHEMBL2147114

COc1cccc(-c2cn3cncc3c(=O)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
BRD9 Q9H8M2 1/20 0.52
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DCLK1 O15075 1/20 0.47
MAP4K4 O95819 1/20 0.47
CSF1R P07333 1/20 0.47
PIM1 P11309 1/20 0.47
CSNK1D P48730 1/20 0.47
CDK5 Q00535 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
STK17A Q9UEE5 1/20 0.47
NPY5R Q15761 1/20 0.44
SERPINE1 P05121 1/20 0.43
LMNA P02545 1/20 0.42

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 0.81 TNKS (0.53) TNKSTNKS2GAAALDH1A1KDM4E
SCHEMBL18352916 0.80 TNKS (0.68) TNKSTNKS2BRD9KDM4E
SCHEMBL4304287 0.79 GAA (0.49) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL14716607 0.77 GAA (0.47) GAAALDH1A1KDM4EGLAL3MBTL1
SCHEMBL16862958 0.75 TNKS (0.73) TNKSTNKS2
SCHEMBL16862944 0.73 TNKS (0.62) TNKSTNKS2GAAALDH1A1KDM4E
SCHEMBL16862949 0.72 TNKS (0.69) TNKSTNKS2GAA
SCHEMBL16863112 0.72 TNKS (1.00) TNKSTNKS2
SCHEMBL8018250 0.72 TNKS (0.46) TNKSTNKS2GAAALDH1A1KDM4E
SCHEMBL14725992 0.72 ALDH1A3 (0.54) BRD9GAAALDH1A1KDM4ELMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087076-B1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9718826-B2 Imidazopyrazinone derivatives MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-9718826-B2 Imidazopyrazinone derivatives MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
EP-2526102-B1 Inhibitors of PI3 kinase FUNDACIÓN CENTRO NAC DE INVESTIG ONCOLÓGICAS CARLOS III (ES) 2017-03-08 EP disclosed
US-20170002010-A1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20170002010-A1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-05 US 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-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
WO-2015096884-A1 IMIDAZOPYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-02 WO 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
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
WO-2011089400-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-28 WO 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 (2 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 TNKS 1554/4885TNKS2 1467/4885BRD9 1348/4885
US-20170002010-A1 IMIDAZOPYRAZINONE DERIVATIVES IRAK1, IRAK3, TNKS TNKS 3/4885TNKS2 14/4885BRD9 3133/4885

“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.