SCHEMBL989193

SCHEMBL989193

CC(C)(C)[Si](C)(C)OCCNc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
IDO1 P14902 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DUT P33316 1/20 0.35
HTT P42858 3/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL31024211 0.88 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL30502135 0.82 NCF1 (0.36) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL30516922 0.82 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1LMNAMAPTDUT
SCHEMBL4447533 0.82 DUT (0.35) SIGMAR1MAPTDUTHTT
SCHEMBL5545762 0.82 NCF1 (0.36) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL30994706 0.81 CHRM2 (0.50) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL15441133 0.79 CA12 (0.50) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL2599179 0.78 MAPT (0.44) ALDH1A1MAPTDUTL3MBTL1
SCHEMBL3722654 0.77 BACE1 (0.35) ALDH1A1KDM4EMAPTADRA2BADRA2C
SCHEMBL3722651 0.77 DUT (0.33) KDM4EMAPTDUTHTT

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 SMN1; SMN2 1754/4885ALDH1A1 4004/4885KDM4E 3381/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD SMN1; SMN2 1754/4885ALDH1A1 4004/4885KDM4E 3381/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD SMN1; SMN2 1754/4885ALDH1A1 4004/4885KDM4E 3381/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD SMN1; SMN2 1965/4885ALDH1A1 3707/4885KDM4E 3265/4885

“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.