SCHEMBL19869786

SCHEMBL19869786

COc1cc(-c2cc(C)c(=O)n(C)c2C)cc(OC)c1CN1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.63
BRD9 Q9H8M2 7/20 0.63
BRD2 P25440 4/20 0.63
BRD7 Q9NPI1 4/20 0.63
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CD274 Q9NZQ7 5/20 0.39
PDCD1 Q15116 1/20 0.39
CHRM3 P20309 1/20 0.37
PDE10A Q9Y233 1/20 0.36
PIM1 P11309 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
SCHEMBL19869794 0.88 BRD4 (0.66) BRD4BRD9BRD2BRD7
SCHEMBL19869781 0.82 BRD4 (0.69) BRD4BRD9BRD2BRD7CD274
SCHEMBL19869715 0.82 BRD4 (0.70) BRD4BRD9BRD2BRD7CYP1A2
SCHEMBL24556673 0.82 BRD4 (0.45) BRD4BRD9BRD2BRD7CYP1A2
SCHEMBL19869815 0.81 BRD4 (0.63) BRD4BRD9BRD2BRD7CYP1A2
SCHEMBL23783351 0.81 BRD9 (0.61) BRD4BRD9BRD2BRD7CYP1A2
SCHEMBL19869792 0.80 BRD9 (0.72) BRD4BRD9BRD2BRD7
SCHEMBL33532427 0.78 BRD9 (0.56) BRD4BRD9BRD2BRD7CD274
SCHEMBL19869680 0.78 BRD9 (1.00) BRD4BRD9BRD2BRD7CD274
SCHEMBL19869782 0.78 BRD9 (0.69) BRD4BRD9BRD2BRD7CD274

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 1/4885BRD2 3/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 BRD4 6/4885BRD9 1/4885BRD2 3/4885

“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.