SCHEMBL9937128

SCHEMBL9937128

CCC(C)(O)c1nc2c(N3CCOCC3)nc(Cl)nc2n1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
YTHDC1 Q96MU7 1/20 0.36
ATR Q13535 5/20 0.35
HDAC1 Q13547 1/20 0.35
CYP3A4 P08684 4/20 0.34
PIK3CB P42338 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
NT5E P21589 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL31372903 0.90 PIK3CD (0.40) PIK3CDPIK3CAMTORYTHDC1ATR
SCHEMBL1114173 0.90 PIK3CD (0.40) PIK3CDPIK3CAMTORYTHDC1ATR
SCHEMBL10262783 0.87 YTHDC1 (0.37) PIK3CDPIK3CAMTORYTHDC1ATR
SCHEMBL19242068 0.85 YTHDC1 (0.35) PIK3CDPIK3CAMTORYTHDC1ATR
SCHEMBL18050720 0.84 YTHDC1 (0.39) PIK3CDPIK3CAMTORYTHDC1ATR
SCHEMBL9936995 0.80 HDAC1 (0.40) PIK3CDYTHDC1ATRHDAC1CYP3A4
SCHEMBL30471263 0.80 HDAC1 (0.40) PIK3CDYTHDC1ATRHDAC1CYP3A4
SCHEMBL21523565 0.80 YTHDC1 (0.34) YTHDC1ATRHDAC1
SCHEMBL2112274 0.79 PIK3CD (0.51) PIK3CDPIK3CAHDAC1PIK3CB
SCHEMBL2673005 0.79 YTHDC1 (0.41) YTHDC1ATRHDAC1CYP3A4KDM4E

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2025-12-25 US disclosed
US-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2022-11-03 US disclosed
US-20190330235-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2019-10-31 US disclosed
US-20190330235-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2019-10-31 US disclosed
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2017-08-17 US disclosed
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2017-08-17 US disclosed
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2017-08-17 US disclosed
US-9546182-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. 2017-01-17 US disclosed
US-9546182-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. 2017-01-17 US disclosed
US-9546182-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. 2017-01-17 US disclosed
EP-2651951-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
EP-2651951-B1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8883799-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-11-11 US disclosed
US-8883799-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-11-11 US disclosed
US-8883799-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-11-11 US disclosed
EP-2651951-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE NOVOGEN LIMITED (AU) 2012-07-05 US disclosed
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE NOVOGEN LIMITED (AU) 2012-07-05 US disclosed
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE NOVOGEN LIMITED (AU) 2012-07-05 US disclosed
WO-2012082997-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA-ROCHE AG (CH) 2012-06-21 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 (5 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-20190330235-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA PIK3CD 17/4885PIK3CA 3/4885MTOR 9/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR PIK3CD 2/4885PIK3CA 1/4885MTOR 3/4885
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA PIK3CD 17/4885PIK3CA 3/4885MTOR 9/4885
US-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR PIK3CD 2/4885PIK3CA 1/4885MTOR 3/4885
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3C2B, PIK3C2A, PIK3R1 PIK3CD 6/4885PIK3CA 10/4885MTOR 18/4885

“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.