SCHEMBL16746008

SCHEMBL16746008

Cc1noc2c1-c1ccccc1NC(=O)C2C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.45
CREBBP Q92793 3/20 0.40
PARP1 P09874 1/20 0.39
BRPF1 P55201 1/20 0.38
PLK1 P53350 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
SCHEMBL16738081 0.87 BRD4 (0.44) BRD4CREBBP
SCHEMBL9974004 0.72 BRD4 (0.42) BRD4
SCHEMBL11451121 0.71 CREBBP (0.50) BRD4CREBBPPARP1BRPF1
SCHEMBL8294613 0.68 BRPF1 (0.47) CREBBPPARP1BRPF1
SCHEMBL875747 0.68 BRPF1 (0.47) CREBBPPARP1BRPF1
SCHEMBL14169780 0.68 CREBBP (0.65) BRD4CREBBPPARP1BRPF1
SCHEMBL9974035 0.67 BRD4 (0.42) BRD4
SCHEMBL16746009 0.67 BRD4 (0.59) BRD4CREBBP
SCHEMBL14169793 0.66 CCKBR (0.50) BRD4CREBBPPARP1BRPF1
SCHEMBL17773288 0.66 BRD4 (0.47) BRD4CREBBP

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-9624244-B2 Benzo [B] isoxazoloazepine bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-05-28 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-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRD3, BRD2 BRD4 1/4885CREBBP 16/4885PARP1 420/4885

“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.