SCHEMBL29920848

SCHEMBL29920848

CNC(=O)c1nc2ncc(-c3c(C)noc3C)cc2n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.44
NR3C1 P04150 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42

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
SCHEMBL17798072 1.00 BRD4 (0.50) BRD4PTGDR2NR3C1HDAC3HDAC4
SCHEMBL17798002 0.84 BRD4 (0.54) BRD4
SCHEMBL29921081 0.84 BRD4 (0.54) BRD4
SCHEMBL29920722 0.83 BRD4 (0.58) BRD4
SCHEMBL17797964 0.83 BRD4 (0.58) BRD4
SCHEMBL30335206 0.82 BRD4 (0.57) BRD4
SCHEMBL21801036 0.82 BRD4 (0.57) BRD4
SCHEMBL17798045 0.81 BRD4 (0.56) BRD4
SCHEMBL29382781 0.81 BRD4 (0.56) BRD4
SCHEMBL29920781 0.81 BRD4 (0.53) BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446306-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2022-09-20 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-11446306-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 BRD4 1/4885PTGDR2 2233/4885NR3C1 795/4885

“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.