SCHEMBL991022

SCHEMBL991022

O=C(Nc1ccccc1)c1cc2c(s1)-c1ccccc1OCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.70
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 8/20 0.60
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 7/20 0.60
HPGD P15428 6/20 0.60
GAA P10253 5/20 0.60
TP53 P04637 4/20 0.60
GLA P06280 4/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
POLB P06746 2/20 0.60
PIK3CA P42336 4/20 0.55
PIK3CB P42338 1/20 0.55
MAPK1 P28482 4/20 0.55
HSD17B10 Q99714 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
CASP1 P29466 3/20 0.54
CASP7 P55210 3/20 0.54

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
SCHEMBL990557 0.85 NOTUM (0.80) NOTUMMAPTKDM4EALDH1A1HPGD
SCHEMBL989341 0.84 NOTUM (0.64) NOTUMMEN1KMT2ATDP1MAPT
SCHEMBL989075 0.83 MAPT (0.67) NOTUMTDP1MAPTKDM4EALDH1A1
SCHEMBL989730 0.82 NOTUM (1.00) NOTUMMEN1KMT2AMAPTKDM4E
SCHEMBL12719328 0.81 NOTUM (0.78) NOTUMMEN1KMT2AMAPTKDM4E
SCHEMBL991058 0.81 NOTUM (0.78) NOTUMMAPTKDM4EALDH1A1HPGD
SCHEMBL988454 0.80 RAB9A (0.61) NOTUMMEN1KMT2ATDP1MAPT
SCHEMBL989700 0.80 NOTUM (0.64) NOTUMMEN1KMT2ATDP1MAPT
SCHEMBL989448 0.79 PIK3CA (0.66) NOTUMMEN1KMT2ATDP1MAPT
SCHEMBL990576 0.79 NOTUM (0.70) NOTUMTDP1MAPTKDM4EALDH1A1

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 NOTUM 1486/4885MEN1 2303/4885KMT2A 4248/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885MEN1 2303/4885KMT2A 4248/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885MEN1 2303/4885KMT2A 4248/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1259/4885MEN1 2562/4885KMT2A 4226/4885

“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.