SCHEMBL19869780

SCHEMBL19869780

COc1cc(-c2cc(C)c(=O)n(C)c2C)ccc1CN1CC(O)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.55
BRD9 Q9H8M2 5/20 0.55
PDCD1 Q15116 10/20 0.52
CD274 Q9NZQ7 10/20 0.52
BRD2 P25440 2/20 0.49
BRD7 Q9NPI1 2/20 0.49
MCHR1 Q99705 1/20 0.42
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL19869796 0.89 CD274 (0.49) BRD4BRD9PDCD1CD274BRD2
SCHEMBL19869781 0.87 BRD4 (0.69) BRD4BRD9PDCD1CD274BRD2
SCHEMBL29613206 0.82 BRD4 (0.74) BRD4BRD9PDCD1CD274BRD2
SCHEMBL19857673 0.82 BRD4 (0.74) BRD4BRD9PDCD1CD274BRD2
SCHEMBL24556487 0.80 BRD4 (0.46) BRD4BRD9PDCD1CD274BRD2
SCHEMBL19871747 0.80 BRD4 (0.46) BRD4BRD9PDCD1CD274BRD2
SCHEMBL19869795 0.80 BRD4 (0.46) BRD4BRD9PDCD1CD274BRD2
SCHEMBL19869788 0.80 BRD4 (0.46) BRD4BRD9PDCD1CD274BRD2
SCHEMBL19871760 0.79 BRD4 (0.43) BRD4BRD9PDCD1CD274BRD2
SCHEMBL19871831 0.77 BRD4 (0.44) BRD4BRD9PDCD1CD274BRD2

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 1/4885PDCD1 492/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 BRD4 6/4885BRD9 1/4885PDCD1 479/4885

“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.