SCHEMBL1833331

SCHEMBL1833331

Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2ccccc2)C3=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.50
MTOR P42345 6/20 0.50
PIK3R1 P27986 1/20 0.47
PIK3CD O00329 2/20 0.46
KDM4E B2RXH2 3/20 0.43
HDAC6 Q9UBN7 1/20 0.42
BRS3 P32247 1/20 0.42
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL15196013 0.93 KDM4E (0.50) PIK3CAMTORKDM4ELMNAMEN1
SCHEMBL1830767 0.87 ALDH1A1 (0.46) PIK3CAMTORKDM4ELMNAMEN1
SCHEMBL15189786 0.85 KDM4E (0.40) PIK3CAMTORKDM4EPIK3CBLMNA
SCHEMBL1829068 0.85 MTOR (0.50) PIK3CAMTORPIK3R1PIK3CGLMNA
SCHEMBL1832647 0.85 MTOR (0.53) PIK3CAMTORPIK3R1
SCHEMBL1833019 0.82 KDM4E (0.46) PIK3CAPIK3CDKDM4EBRS3PIK3CB
SCHEMBL3641918 0.82 KDM4E (0.46) PIK3CAKDM4EBRS3PIK3CBLMNA
SCHEMBL2625453 0.82 MTOR (0.51) PIK3CAMTORPIK3R1
SCHEMBL1832398 0.77 BRS3 (0.55) PIK3CAMTORPIK3R1PIK3CDKDM4E
SCHEMBL2099499 0.77 CFTR (0.57) PIK3CAMTORPIK3R1PIK3CDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP claimed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK PIK3CA 4/4885MTOR 1/4885PIK3R1 151/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK PIK3CA 4/4885MTOR 1/4885PIK3R1 151/4885

“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.