SCHEMBL19869950

SCHEMBL19869950

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
BRD4 O60885 2/20 0.36
BRD9 Q9H8M2 2/20 0.36
DDR1 Q08345 4/20 0.35
GAA P10253 3/20 0.34
HSD11B1 P28845 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
FAAH O00519 1/20 0.33
POLB P06746 1/20 0.33
CCR5 P51681 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
SCHEMBL19869707 0.86 KDM4E (0.42) POLBCCR5
SCHEMBL19869697 0.78 CFTR (0.40) DDR1FAAH
SCHEMBL22318029 0.74 BRD9 (0.59) BRD4BRD9
SCHEMBL23575677 0.74 MTNR1A (0.39) AAK1MTNR1AMTNR1BPOLB
SCHEMBL23783427 0.74 MMP1 (0.47) GAAMMP1MMP9MMP13ADAM17
SCHEMBL19869942 0.73 BRD4 (0.54) BRD4BRD9GAAFAAHCCR5
SCHEMBL15358190 0.72 DDR1 (0.45) DDR1POLB
SCHEMBL30297121 0.72 GPR119 (0.47)
SCHEMBL24556480 0.71 GAA (0.41) BRD4BRD9GAAFAAHCCR5
SCHEMBL25933270 0.70 CYP2D6 (0.49) MMP1MMP9MMP13ADAM17

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 PIK3CD 1281/4885BRD4 5/4885BRD9 1/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 PIK3CD 1251/4885BRD4 6/4885BRD9 1/4885

“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.