SCHEMBL10292640

SCHEMBL10292640

CCCCOc1ccc(Br)nc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 14/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL1810729 0.87 S1PR4 (0.51) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30454502 0.87 S1PR4 (0.51) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1812248 0.85 S1PR4 (0.52) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30365901 0.81 NPC1 (0.49) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2986307 0.78 MAPT (0.46) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31358001 0.78 MAPT (0.46) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3072548 0.77 ALDH1A1 (0.48) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30253292 0.77 ALDH1A1 (0.48) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2921634 0.77 ALDH1A1 (0.47) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2921638 0.77 ALDH1A1 (0.47) S1PR4NPC1RAB9ASMN1; SMN2MAPT

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
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-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

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 S1PR4 1731/4885NPC1 2221/4885RAB9A 4186/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD S1PR4 1756/4885NPC1 2309/4885RAB9A 4182/4885

“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.