SCHEMBL19869954

SCHEMBL19869954

COc1cc(Br)ccc1C1(N2CCN(C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR6 P50406 3/20 0.38
ALDH1A1 P00352 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HTR1B P28222 2/20 0.36
HTR2B P41595 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 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
SCHEMBL19869940 0.81 ALDH1A1 (0.36) KDM4EMAPTALDH1A1DUSP3PTPN5
SCHEMBL19869969 0.72 ALDH1A1 (0.44) KDM4EMAPTALDH1A1DUSP3PTPN5
SCHEMBL4573426 0.72 ALDH1A1 (0.42) GAAKDM4ETDP1MAPTALDH1A1
SCHEMBL24556587 0.71 MAP4K1 (0.37) MAPTALK
SCHEMBL19869774 0.71 BRD4 (0.47)
SCHEMBL2799605 0.71 DRD2 (0.60) GAAKDM4ETDP1MAPTMAPK1
SCHEMBL19869930 0.69 PYCR1 (0.40) GAAKDM4ETDP1MAPK1ALDH1A1
SCHEMBL2800657 0.68 HTR6 (0.61) KDM4EMAPTMAPK1HTR6ALDH1A1
SCHEMBL15301004 0.68 SIGMAR1 (0.44) GAAKDM4ETDP1ALDH1A1CYP1A2
SCHEMBL19869956 0.68 GAA (0.66) GAAKDM4ETDP1MAPTMAPK1

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 4237/4885KDM4E 1154/4885TDP1 1473/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 GAA 4152/4885KDM4E 1262/4885TDP1 1708/4885

“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.