SCHEMBL4286848

SCHEMBL4286848

O=C1COc2ccc(C3=Nn4cnnc4SC3c3ccccc3Br)cc2N1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 15/20 0.81
NR3C1 P04150 7/20 0.81
AR P10275 5/20 0.81
PGR P06401 6/20 0.58
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL4295624 0.90 NR3C2 (0.82) NR3C2NR3C1ARPGRPDE3B
SCHEMBL4288587 0.90 NR3C2 (1.00) NR3C2NR3C1ARPGRPDE3B
SCHEMBL4290759 0.90 NR3C2 (0.81) NR3C2NR3C1ARPGRPDE3B
SCHEMBL4291243 0.88 NR3C2 (1.00) NR3C2NR3C1ARPGRPDE3B
SCHEMBL4296534 0.86 NR3C2 (0.82) NR3C2NR3C1ARPGRPDE3B
SCHEMBL4286825 0.84 NR3C2 (0.79) NR3C2NR3C1ARPGRPDE3B
SCHEMBL4295845 0.84 NR3C2 (1.00) NR3C2NR3C1ARPGR
SCHEMBL8231839 0.83 NR3C2 (0.82) NR3C2NR3C1ARPGR
SCHEMBL4288710 0.83 NR3C2 (0.84) NR3C2NR3C1ARPGRPDE3B
Bromide SCHEMBL4290425 0.83 NR3C2 (0.81) NR3C2NR3C1ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R NR3C2 1/4885NR3C1 2/4885AR 60/4885

“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.