SCHEMBL9937539

SCHEMBL9937539

CC(C)(O)CCn1c(I)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.41
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
PIK3CD O00329 1/20 0.40
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 9/20 0.37
ALDH1A1 P00352 9/20 0.37
HPGD P15428 9/20 0.37
HSD17B10 Q99714 9/20 0.37
ALOX15 P16050 1/20 0.37
BCL6 P41182 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TSHR P16473 2/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CASP1 P29466 1/20 0.34
PDE10A Q9Y233 1/20 0.34
P2RX3 P56373 1/20 0.33
NT5E P21589 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL30076358 1.00 CYP3A4 (0.41) CYP3A4PIK3CAMTORPIK3CDHDAC1
SCHEMBL9937364 0.83 CYP3A4 (0.41) CYP3A4PIK3CAMTORPIK3CDHDAC1
SCHEMBL9936490 0.81 CYP3A4 (0.40) CYP3A4PIK3CAMTORPIK3CDHDAC1
SCHEMBL19003149 0.79 PIK3CA (0.57) CYP3A4PIK3CAMTORPIK3CDHDAC1
SCHEMBL25232626 0.78 CYP3A4 (0.52) CYP3A4PIK3CAMTORPIK3CDHDAC1
SCHEMBL2674207 0.78 HDAC1 (0.45) CYP3A4PIK3CAPIK3CDHDAC1KDM4E
SCHEMBL9936540 0.78 HDAC1 (0.46) PIK3CAMTORPIK3CDHDAC1CNR2
SCHEMBL9937775 0.77 HSD17B10 (0.41) CYP3A4HDAC1KDM4EALDH1A1HPGD
SCHEMBL1114172 0.76 PIK3CA (0.54) CYP3A4PIK3CAMTORPIK3CDHDAC1
SCHEMBL19003132 0.76 PIK3CA (0.53) CYP3A4PIK3CAMTORPIK3CDHDAC1

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 CYP3A4 1190/4885PIK3CA 3/4885MTOR 9/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR CYP3A4 1099/4885PIK3CA 1/4885MTOR 3/4885
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA CYP3A4 1190/4885PIK3CA 3/4885MTOR 9/4885
US-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR CYP3A4 1099/4885PIK3CA 1/4885MTOR 3/4885
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3C2B, PIK3C2A, PIK3R1 CYP3A4 2620/4885PIK3CA 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.