SCHEMBL3307018

SCHEMBL3307018

CC1(C)OB(c2ccc3nc(N)nn3c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.38
LIPG Q9Y5X9 11/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
F11 P03951 2/20 0.35
FFAR1 O14842 1/20 0.34
F2 P00734 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
SCHEMBL30147981 0.84 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL21929765 0.80 NAMPT (0.41) LPLLIPGCA1CA2CA9
SCHEMBL3308241 0.78 PIK3CG (0.39) LPLLIPGPIK3CDPIK3CGPIK3CA
SCHEMBL20480347 0.76 PIK3CG (0.47) LPLLIPGPIK3CGCA1CA2
SCHEMBL935986 0.75 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1820427 0.73 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL14658714 0.70 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL17492388 0.69 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL22480047 0.69 PIK3CG (0.35) LPLLIPGPIK3CDPIK3CGPIK3CA
SCHEMBL22479933 0.69 PIK3CG (0.36) LPLLIPGPIK3CDPIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347361-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
EP-3347361-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
US-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2019-10-08 US disclosed
US-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2019-10-08 US disclosed
US-20180327420-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-11-15 US disclosed
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2018-09-04 US disclosed
EP-3347361-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE H. Hoffnabb-La Roche Ag (CH) 2018-07-18 EP disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
WO-2017042182-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 WO disclosed
WO-2017042182-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 WO disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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 (6 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-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB LPL 1826/4885LIPG 1239/4885PIK3CD 2/4885
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB LPL 1826/4885LIPG 1239/4885PIK3CD 2/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB LPL 1826/4885LIPG 1239/4885PIK3CD 2/4885
US-20180327420-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB LPL 1826/4885LIPG 1239/4885PIK3CD 2/4885
US-10065970-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB LPL 1826/4885LIPG 1239/4885PIK3CD 2/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT LPL 3774/4885LIPG 3175/4885PIK3CD 3414/4885

“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.