SCHEMBL19869945

SCHEMBL19869945

COc1cc(CN2CCN(C)CC2)c(OC)cc1Br

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
HTR2A P28223 2/20 0.58
MAPK1 P28482 1/20 0.56
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HRH2 P25021 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HTR2C P28335 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ACHE P22303 1/20 0.48
MTNR1A P48039 1/20 0.48

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
SCHEMBL29690180 0.83 CYP1A2 (0.55) HTR2AMAPK1KDM4ETDP1HTR2C
SCHEMBL19869956 0.83 GAA (0.66) GAAMAPK1DRD2DRD4HRH2
SCHEMBL20545632 0.83 CYP1A2 (0.55) HTR2AMAPK1KDM4ETDP1HTR2C
SCHEMBL25933538 0.81 GAA (0.56) GAADRD2DRD4HRH2DRD3
SCHEMBL19869938 0.78 GAA (0.67) GAADRD2DRD4HRH2DRD3
SCHEMBL19869944 0.77 KDM4E (0.55) HTR2AMAPK1KDM4EHTR2CTAAR1
SCHEMBL21550472 0.77 HTT (0.56) GAALMNAHTTACHE
SCHEMBL25511834 0.76 TRPV6 (0.49) GAAMAPK1KDM4ETDP1MTNR1A
SCHEMBL19869951 0.76 PKM (0.47) HTR2AMAPK1KDM4ELMNAMTNR1A
SCHEMBL21538245 0.75 KDM4E (0.67) GAAKDM4E

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 GAA 4237/4885HTR2A 2363/4885MAPK1 611/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 GAA 4152/4885HTR2A 2265/4885MAPK1 672/4885

“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.