SCHEMBL9937867

SCHEMBL9937867

CC(NC(=O)CBr)c1nc2c(N3CCOCC3)nc(Cl)nc2n1C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.37
STAT3 P40763 1/20 0.36
P2RX3 P56373 3/20 0.35
YTHDC1 Q96MU7 1/20 0.34
NT5E P21589 2/20 0.32
HDAC2 Q92769 1/20 0.32
FLT3 P36888 1/20 0.31
CNR2 P34972 1/20 0.31
ATR Q13535 1/20 0.30

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
SCHEMBL9938480 0.85 MTOR (0.35) HDAC1STAT3P2RX3YTHDC1ATR
SCHEMBL9937975 0.83 YTHDC1 (0.38) HDAC1P2RX3YTHDC1NT5EFLT3
SCHEMBL19003136 0.83 YTHDC1 (0.39) HDAC1YTHDC1FLT3CNR2ATR
SCHEMBL10008246 0.81 YTHDC1 (0.38) HDAC1YTHDC1FLT3CNR2ATR
SCHEMBL9936683 0.79 YTHDC1 (0.34) HDAC1P2RX3YTHDC1NT5EFLT3
SCHEMBL30076448 0.79 YTHDC1 (0.34) HDAC1P2RX3YTHDC1NT5EFLT3
SCHEMBL16229481 0.78 YTHDC1 (0.35) HDAC1YTHDC1NT5EATR
SCHEMBL9937580 0.78 HDAC1 (0.42) HDAC1STAT3P2RX3YTHDC1NT5E
SCHEMBL10007881 0.78 HDAC1 (0.39) HDAC1STAT3P2RX3YTHDC1NT5E
SCHEMBL12268013 0.77 HDAC1 (0.39) HDAC1STAT3P2RX3YTHDC1NT5E

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 24 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-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-3053925-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-08-10 EP disclosed
EP-3053925-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-08-10 EP disclosed
EP-2813506-A1 Tricyclic PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-12-17 EP disclosed
EP-2813506-A1 Tricyclic PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-12-17 EP 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
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
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 HDAC1 445/4885STAT3 261/4885P2RX3 2209/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR HDAC1 298/4885STAT3 72/4885P2RX3 2977/4885
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA HDAC1 445/4885STAT3 261/4885P2RX3 2209/4885
US-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR HDAC1 298/4885STAT3 72/4885P2RX3 2977/4885
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3C2B, PIK3C2A, PIK3R1 HDAC1 277/4885STAT3 67/4885P2RX3 2447/4885

“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.