SCHEMBL19869697

SCHEMBL19869697

COc1cc(Br)cc(OC)c1CN1CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
KDM4D Q6B0I6 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK1 P23458 1/20 0.39
DDR1 Q08345 1/20 0.38
FAAH O00519 1/20 0.38
DRD3 P35462 2/20 0.38
CTSK P43235 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
DRD2 P14416 3/20 0.37
PDE4B Q07343 2/20 0.37

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
SCHEMBL19857670 0.79 BRD4 (0.67) CFTRKDM4DJAK1DDR1DRD3
SCHEMBL19869950 0.78 PIK3CD (0.39) DDR1FAAH
SCHEMBL9911804 0.77 JAK1 (0.42) CFTRKDM4DKMT2AL3MBTL1JAK1
SCHEMBL24556548 0.75 BRD4 (0.41) KMT2AFAAHDRD3
SCHEMBL23783427 0.75 MMP1 (0.47) KMT2AFAAHPDE4B
SCHEMBL19869942 0.74 BRD4 (0.54) KMT2AFAAH
SCHEMBL30297121 0.73 GPR119 (0.47) PDE4B
SCHEMBL1815532 0.73 KMT2A (0.65) KMT2AL3MBTL1JAK1DRD3DRD2
SCHEMBL19871842 0.72 PDE4B (0.45) PDE4B
SCHEMBL17970109 0.71 CTSK (0.50) KMT2AL3MBTL1JAK1CTSKCA1

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 CFTR 2139/4885SUV39H2 1372/4885KDM4D 581/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 CFTR 1975/4885SUV39H2 1323/4885KDM4D 514/4885

“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.