SCHEMBL19869927

SCHEMBL19869927

COc1cc(Br)ccc1CN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
KCNK3 O14649 3/20 0.42
KCNK9 Q9NPC2 3/20 0.42
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CCR5 P51681 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL19857616 1.00 HSD11B1 (0.42) HSD11B1KCNK3KCNK9FGFR1FGFR2
SCHEMBL19857688 1.00 HSD11B1 (0.42) HSD11B1KCNK3KCNK9FGFR1FGFR2
SCHEMBL19857617 1.00 HSD11B1 (0.42) HSD11B1KCNK3KCNK9FGFR1FGFR2
SCHEMBL19869967 0.81 HSD11B1 (0.45) HSD11B1KCNK3KCNK9F13A1TGM2
SCHEMBL19869932 0.81 HSD11B1 (0.45) HSD11B1KCNK3KCNK9F13A1TGM2
SCHEMBL27141669 0.79 HSD11B1 (0.43) HSD11B1KCNK3KCNK9FGFR1FGFR2
SCHEMBL24556470 0.79 TRPV6 (0.44) TRPV6KDM4EALDH1A1CCR5MEN1
SCHEMBL19869926 0.79 TRPV6 (0.44) TRPV6KDM4EALDH1A1CCR5MEN1
SCHEMBL19869929 0.79 TRPV6 (0.44) TRPV6KDM4EALDH1A1CCR5MEN1
SCHEMBL29733363 0.79 TRPV6 (0.44) TRPV6KDM4EALDH1A1CCR5MEN1

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 4 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
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 2091/4885KCNK3 1173/4885KCNK9 219/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 HSD11B1 1847/4885KCNK3 1257/4885KCNK9 236/4885

“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.