SCHEMBL19869932

SCHEMBL19869932

COc1cc(Br)ccc1C(=O)N1C[C@@H]2CC1CN2C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
USP30 Q70CQ3 2/20 0.42
SPR P35270 1/20 0.42
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
PARP1 P09874 1/20 0.38
PDE4B Q07343 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HDAC1 Q13547 1/20 0.36
BACE1 P56817 1/20 0.36
CCR2 P41597 1/20 0.36
RET P07949 2/20 0.35
KRAS P01116 1/20 0.35
AR P10275 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL19869967 1.00 HSD11B1 (0.45) HSD11B1USP30SPRF13A1TGM2
SCHEMBL24556500 0.83 EGFR (0.38) HSD11B1
SCHEMBL19869978 0.83 EGFR (0.38) HSD11B1
SCHEMBL24556498 0.83 EGFR (0.38) HSD11B1
SCHEMBL19857617 0.81 HSD11B1 (0.42) HSD11B1USP30F13A1TGM2TGM1
SCHEMBL19857616 0.81 HSD11B1 (0.42) HSD11B1USP30F13A1TGM2TGM1
SCHEMBL19869927 0.81 HSD11B1 (0.42) HSD11B1USP30F13A1TGM2TGM1
SCHEMBL19857688 0.81 HSD11B1 (0.42) HSD11B1USP30F13A1TGM2TGM1
SCHEMBL15286445 0.79 POLB (0.49) USP30BACE1KRAS
SCHEMBL24556475 0.76 TLR9 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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 (2 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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 HSD11B1 2091/4885USP30 2685/4885SPR 2673/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 HSD11B1 1847/4885USP30 2923/4885SPR 2541/4885

“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.