SCHEMBL19869652

SCHEMBL19869652

Cc1nc(Br)cn(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.42
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.31
BRD9 Q9H8M2 2/20 0.31
BRD7 Q9NPI1 1/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL171024 0.80 BRD4 (0.40) BRD4ALDH1A1KDM4EGLAAURKA
SCHEMBL13074741 0.78 BRD4 (0.41) BRD4ALDH1A1KDM4EHPGDGLA
SCHEMBL20614414 0.77 ALDH1A1 (0.38) BRD4ALDH1A1KDM4EHPGDGLA
SCHEMBL23164339 0.77 BRD4 (0.38) BRD4AURKATTKAURKBINCENP
SCHEMBL11987749 0.77 BRD4 (0.38) BRD4AURKATTKAURKBINCENP
SCHEMBL13512616 0.77 AURKA (0.40) BRD4KDM4EAURKATTKAURKB
Bromide SCHEMBL1203957 0.75 BRD4 (0.38) BRD4AURKATTKAURKBINCENP
SCHEMBL20105164 0.74 AURKA (0.37) BRD4ALDH1A1KDM4EHPGDGLA
Bromide SCHEMBL1203956 0.74 BRD4 (0.37) BRD4AURKATTKAURKBINCENP
SCHEMBL104447 0.72

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 5/4885ALDH1A1 2654/4885KDM4E 1154/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 BRD4 6/4885ALDH1A1 2461/4885KDM4E 1262/4885

“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.