SCHEMBL989599

SCHEMBL989599

O=C(c1cc2c(s1)-c1ccccc1OCC2)C(Br)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.67
PIK3CA P42336 9/20 0.53
PIK3CB P42338 2/20 0.53
ALDH1A1 P00352 8/20 0.53
HPGD P15428 8/20 0.53
KDM4E B2RXH2 6/20 0.53
GAA P10253 6/20 0.53
HSD17B10 Q99714 5/20 0.53
MAPK1 P28482 3/20 0.53
GLA P06280 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL988529 0.85 NOTUM (0.61) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL990557 0.83 NOTUM (0.80) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL989730 0.80 NOTUM (1.00) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL991058 0.79 NOTUM (0.78) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL12719328 0.79 NOTUM (0.78) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL991022 0.77 NOTUM (0.70) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL990576 0.77 NOTUM (0.70) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL987815 0.75 PIK3CA (0.49) NOTUMPIK3CAPIK3CB
SCHEMBL16368697 0.74 NOTUM (0.53) NOTUMPIK3CAPIK3CB
SCHEMBL989075 0.74 MAPT (0.67) NOTUMPIK3CAPIK3CBALDH1A1HPGD

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 10 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
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 1486/4885PIK3CA 1/4885PIK3CB 9/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885PIK3CA 1/4885PIK3CB 9/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885PIK3CA 1/4885PIK3CB 9/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1259/4885PIK3CA 1/4885PIK3CB 9/4885

“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.