SCHEMBL17467705

SCHEMBL17467705

Cc1noc(C)c1-c1cc(N)ccc1OP

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
BRD4 O60885 12/20 0.39
BRD2 P25440 7/20 0.39
BRD3 Q15059 5/20 0.39
ATAD2 Q6PL18 1/20 0.39
AR P10275 1/20 0.39
JAK2 O60674 1/20 0.38
NR3C1 P04150 1/20 0.37
CREBBP Q92793 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 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
SCHEMBL1907803 0.87 BRD4 (0.48) BRD4BRD2BRD3ATAD2NR3C1
SCHEMBL1906132 0.87 BRD4 (0.48) BRD4BRD2BRD3ATAD2NR3C1
SCHEMBL29619075 0.80 BRD4 (0.45) MAP4K4BRD4BRD2BRD3ATAD2
SCHEMBL11980660 0.80 BRD4 (0.47) MAP4K4BRD4BRD2BRD3ATAD2
SCHEMBL16896898 0.78 BRD4 (0.48) BRD4BRD2BRD3ATAD2NR3C1
SCHEMBL16118502 0.77 ERN1 (0.48) MAP4K4BRD4BRD2BRD3ATAD2
SCHEMBL18249941 0.77 FFAR1 (0.43) MAP4K4BRD4BRD2BRD3ATAD2
SCHEMBL18249919 0.77 NR3C1 (0.43) MAP4K4BRD4BRD2BRD3ATAD2
SCHEMBL17467704 0.77 AKR1C3 (0.41) BRD4BRD2BRD3NR3C1ALDH1A1
SCHEMBL16619524 0.76 ATAD2 (0.46) BRD4BRD2BRD3ATAD2AR

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-9695179-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2017-07-04 US disclosed
US-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2016-01-28 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-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, BRD3, BRDT MAP4K4 1675/4885BRD4 4/4885BRD2 5/4885

“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.