SCHEMBL17833804

SCHEMBL17833804

Cc1noc2ccc(-c3ccc(-c4nc5ccccn5c4NC(C)(C)C)cc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.68
ADRA1B P35368 1/20 0.61
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
TOP2A P11388 1/20 0.55
TAF1 P21675 1/20 0.52
TAF1L Q8IZX4 1/20 0.52
BACE1 P56817 4/20 0.52
BACE2 Q9Y5Z0 4/20 0.52
TRIM24 O15164 1/20 0.49
SALL4 Q9UJQ4 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49

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
SCHEMBL16424662 0.96 BRD4 (0.67) BRD4ADRA1BHDAC4HDAC7HDAC9
SCHEMBL16424675 0.87 BRD4 (0.70) BRD4HDAC4HDAC5TAF1TAF1L
SCHEMBL20286076 0.86 BRD4 (0.52) BRD4ADRA1BHDAC4HDAC7HDAC9
SCHEMBL16424681 0.83 BRD4 (0.69) BRD4SALL4
SCHEMBL16424669 0.82 BRD4 (0.70) BRD4HDAC4HDAC5TAF1TAF1L
SCHEMBL20286082 0.81 BRD4 (0.67) BRD4TOP2ATAF1TAF1L
SCHEMBL16424682 0.81 BRD4 (1.00) BRD4ADRA1BHDAC4HDAC7HDAC9
SCHEMBL25416714 0.81 ADRA1B (0.91) BRD4ADRA1BHDAC4HDAC7HDAC9
SCHEMBL21143289 0.80 BRD4 (0.48) BRD4HDAC4HDAC7HDAC9HDAC5
SCHEMBL20889469 0.80 ADRA1B (0.61) BRD4ADRA1BHDAC4HDAC7HDAC9

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
US-9975896-B2 Inhibitors of transcription factors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-22 US disclosed
US-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-16 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-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF BRD4, BRPF3, EP300 BRD4 1/4885ADRA1B 3038/4885HDAC4 128/4885

“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.