SCHEMBL988710

SCHEMBL988710

CCOC(=O)c1nc2c(s1)CCOc1ccc(C#N)cc1-2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 11/20 0.55
PIK3CD O00329 1/20 0.55
PIK3R1 P27986 1/20 0.55
NPY5R Q15761 7/20 0.42
NPC1 O15118 1/20 0.41
CLK1 P49759 1/20 0.41
RAB9A P51151 1/20 0.41
PIK3CA P42336 1/20 0.39
PIK3CB P42338 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
SCHEMBL1484646 0.85 MAP3K14 (0.48) MAP3K14PIK3CDPIK3R1NPY5RNPC1
SCHEMBL1485037 0.85 NPY5R (0.53) MAP3K14PIK3CDPIK3R1NPY5RNPC1
SCHEMBL12535899 0.82 PIK3CD (0.47) MAP3K14PIK3CDPIK3R1NPY5RNPC1
SCHEMBL1484604 0.79 PIK3CA (0.42) MAP3K14PIK3CDPIK3R1NPY5RNPC1
SCHEMBL15192300 0.77 MAP3K14 (0.49) MAP3K14PIK3CDPIK3R1NPY5R
SCHEMBL4116817 0.76 MAP3K14 (0.48) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15192837 0.73 MAP3K14 (0.50) MAP3K14PIK3CDPIK3R1NPY5R
SCHEMBL12317096 0.72 MAP3K14 (0.53) MAP3K14PIK3CDPIK3R1NPY5R
SCHEMBL12535552 0.71 PIK3CA (0.52) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15192299 0.71 MAP3K14 (1.00) MAP3K14PIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309265-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN-LA ROCHE INC. 2014-11-13 US disclosed
US-8846762-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-09-30 US disclosed
EP-2276767-B1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-05-07 EP disclosed
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN - LA ROCHE AG (CH) 2013-05-16 US disclosed
US-8399690-B2 4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene compounds GENENTECH, INC. (US) 2013-03-19 US disclosed
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-06-02 US disclosed
US-7928248-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-04-19 US disclosed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 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 (4 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-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MAP3K14 83/4885PIK3CD 3/4885PIK3R1 6/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MAP3K14 83/4885PIK3CD 3/4885PIK3R1 6/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MAP3K14 83/4885PIK3CD 3/4885PIK3R1 6/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD MAP3K14 77/4885PIK3CD 3/4885PIK3R1 6/4885

“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.