SCHEMBL2673604

SCHEMBL2673604

O=[N+]([O-])c1c(F)cccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PLAU P00749 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
NPY1R P25929 1/20 0.30
CNR1 P21554 1/20 0.30
MGMT P16455 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4575697 0.76 CYP3A4 (0.46) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL240574 0.72 TDP1 (0.52) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL27679749 0.70 GRIA2 (0.38) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL14406573 0.70 CA2 (0.36) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL2234399 0.67 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL14406591 0.67 CYP1A2 (0.32) ALDH1A1TDP1MAPTNPC1MEN1
SCHEMBL2163068 0.67 TDP1 (0.45) ALDH1A1TDP1MAPTSMN1; SMN2CYP3A4
SCHEMBL27735809 0.66 NPC1 (0.43) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL2843518 0.65 TDP1 (0.45) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL29557370 0.65 GPR35 (0.59) ALDH1A1TDP1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459272-B Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH INC 2014-08-06 CN disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
CN-102459272-A Bicyclic pyrimidine pi3k inhibitor compounds selective for p110 delta, and methods of use GENENTECH INC 2012-05-16 CN disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD ALDH1A1 4438/4885TDP1 1424/4885LMNA 3078/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD ALDH1A1 4423/4885TDP1 1488/4885LMNA 3229/4885

“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.