SCHEMBL19869937

SCHEMBL19869937

COc1cc(Br)ccc1C(=O)N1C[C@@H]2C[C@H]1CN2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
KDM1A O60341 3/20 0.40
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
ROCK2 O75116 2/20 0.37
LPAR1 Q92633 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
SCHEMBL19869931 1.00 TLR9 (0.46) TLR9TLR8TLR7KDM1ACHRNB2
SCHEMBL24556475 1.00 TLR9 (0.46) TLR9TLR8TLR7KDM1ACHRNB2
Hydrochloric Acid SCHEMBL19857606 0.99 TLR9 (0.45) TLR9TLR8TLR7KDM1ACHRNB2
Hydrochloric Acid SCHEMBL19857605 0.99 TLR9 (0.45) TLR9TLR8TLR7KDM1ACHRNB2
SCHEMBL19869978 0.80 EGFR (0.38)
SCHEMBL24556498 0.80 EGFR (0.38)
SCHEMBL24556500 0.80 EGFR (0.38)
SCHEMBL24556655 0.77 TLR9 (0.44) TLR9TLR8TLR7KDM1AROCK2
SCHEMBL24556644 0.77 TLR9 (0.44) TLR9TLR8TLR7KDM1AROCK2
SCHEMBL19871790 0.77 TLR9 (0.45) TLR9TLR8TLR7KDM1AROCK2

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 2 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-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 (1 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 TLR9 2602/4885TLR8 4435/4885TLR7 2801/4885

“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.