SCHEMBL19869942

SCHEMBL19869942

COc1cc(Br)cc(OC)c1CN1CC(O)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
BRD9 Q9H8M2 2/20 0.54
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.40
CD274 Q9NZQ7 4/20 0.38
PDCD1 Q15116 3/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.37
FAAH O00519 1/20 0.36
CCR5 P51681 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL19869696 0.80 TRPV6 (0.54) KDM4ETDP1CD274PDCD1CCR5
SCHEMBL19869944 0.78 KDM4E (0.55) KDM4ECD274PDCD1ALDH1A1TSHR
SCHEMBL24556548 0.77 BRD4 (0.41) BRD4BRD9GAAKDM4ETDP1
SCHEMBL19869938 0.75 GAA (0.67) GAAKDM4ETDP1MEN1ALDH1A1
SCHEMBL19869866 0.75 BRD4 (0.46) BRD4BRD9KDM4ECD274PDCD1
SCHEMBL19869933 0.74 CYP1A2 (0.50) GAAKDM4ETDP1ALDH1A1
SCHEMBL29933442 0.74 BRD4 (0.46) BRD4BRD9KDM4ECD274PDCD1
SCHEMBL28916496 0.74 BRD4 (0.46) BRD4BRD9KDM4ECD274PDCD1
SCHEMBL19869950 0.73 PIK3CD (0.39) BRD4BRD9GAAFAAHCCR5
SCHEMBL19869781 0.71 BRD4 (0.69) BRD4BRD9CD274PDCD1PDCD1LG2

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 BRD4 5/4885BRD9 1/4885GAA 4237/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 BRD4 6/4885BRD9 1/4885GAA 4152/4885

“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.