SCHEMBL17833798

SCHEMBL17833798

Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)nc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.78
TAF1 P21675 1/20 0.61
TAF1L Q8IZX4 1/20 0.61
ADRA1B P35368 1/20 0.53
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CREBBP Q92793 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
SCHEMBL17833797 0.93 BRD4 (0.79) BRD4TAF1TAF1LADRA1BHDAC4
SCHEMBL16424682 0.88 BRD4 (1.00) BRD4TAF1TAF1LADRA1BHDAC4
SCHEMBL16424671 0.87 BRD4 (1.00) BRD4TAF1TAF1L
SCHEMBL16424672 0.80 BRD4 (1.00) BRD4TAF1TAF1L
SCHEMBL17833800 0.79 BRD4 (0.78) BRD4TAF1TAF1LCREBBP
SCHEMBL17833801 0.79 BRD4 (0.77) BRD4TAF1TAF1LADRA1BHDAC4
SCHEMBL20286083 0.76 BRD4 (0.60) BRD4TAF1TAF1LADRA1BHDAC4
SCHEMBL16424677 0.76 BRD4 (1.00) BRD4TAF1TAF1L
SCHEMBL25416714 0.74 ADRA1B (0.91) BRD4ADRA1BHDAC4HDAC7HDAC9
SCHEMBL6643651 0.74 ADRA1B (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
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 (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-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF BRD4, BRPF3, EP300 BRD4 1/4885TAF1 72/4885TAF1L 33/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885TAF1 75/4885TAF1L 24/4885

“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.