SCHEMBL17875671

SCHEMBL17875671

O=C1COc2c(Br)cc(Br)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
MMP12 P39900 1/20 0.40
AHR P35869 2/20 0.40
CMA1 P23946 1/20 0.40
PARP1 P09874 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
TERT O14746 1/20 0.36
PGR P06401 5/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IL4I1 Q96RQ9 1/20 0.34
MAPT P10636 1/20 0.34
NR3C2 P08235 5/20 0.34
NR3C1 P04150 3/20 0.34
BRAF P15056 1/20 0.33

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
SCHEMBL4290482 0.84 IL4I1 (0.44) PDE3BPDE3AMMP12AHRCMA1
SCHEMBL4480236 0.83 PDE3B (0.41) PDE3BPDE3AMMP12AHRCMA1
SCHEMBL30330297 0.83 PDE3B (0.41) PDE3BPDE3AMMP12PARP1ADRB2
SCHEMBL4678142 0.83 PDE3B (0.41) PDE3BPDE3AMMP12PARP1ADRB2
SCHEMBL29939223 0.83 NR3C2 (0.45) PDE3BPDE3AMMP12AHRCMA1
SCHEMBL25166226 0.83 PDE3B (0.41) PDE3BPDE3AMMP12PARP1ADRB2
SCHEMBL4102483 0.83 NR3C2 (0.45) PDE3BPDE3AMMP12AHRCMA1
SCHEMBL4288420 0.83 PDE3B (0.47) PDE3BPDE3AMMP12AHRCMA1
SCHEMBL4673975 0.80 PKM (0.43) PDE3BPDE3AMMP12ADRB2ADRB1
SCHEMBL4293613 0.79 PGR (0.42) PDE3BPDE3AMMP12PARP1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999616-B2 2018-06-19 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 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-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PDE3B 4069/4885PDE3A 4133/4885MMP12 2176/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PDE3B 4069/4885PDE3A 4133/4885MMP12 2176/4885

“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.