SCHEMBL990225

SCHEMBL990225

CN(C(=O)c1cc2c(s1)-c1cc(CN3CCC(O)C3)ccc1OC2)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOTUM Q6P988 1/20 0.45
MAPT P10636 5/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 1/20 0.41
MLNR O43193 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL990223 1.00 PIK3CA (0.52) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL988262 0.89 PIK3CA (0.56) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL988805 0.88 PIK3CA (0.56) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989603 0.88 PIK3CA (0.57) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL12535807 0.85 PIK3CA (0.55) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989422 0.85 PIK3CA (0.55) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL12535808 0.85 PIK3CA (0.55) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989641 0.84 PIK3CA (0.61) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989557 0.83 PIK3CA (0.57) PIK3CAKDM4EALDH1A1GAAL3MBTL1
SCHEMBL988504 0.83 PIK3CA (0.69) PIK3CAKDM4EALDH1A1GAAL3MBTL1

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
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP claimed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO claimed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 US claimed
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
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 PIK3CA 1/4885KDM4E 3381/4885ALDH1A1 4004/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885KDM4E 3381/4885ALDH1A1 4004/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885KDM4E 3381/4885ALDH1A1 4004/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885KDM4E 3265/4885ALDH1A1 3707/4885

“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.