SCHEMBL4480236

SCHEMBL4480236

O=C1COc2c(Br)cc(Cl)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
IL4I1 Q96RQ9 1/20 0.38
MMP12 P39900 1/20 0.38
AHR P35869 2/20 0.38
CMA1 P23946 1/20 0.38
PGR P06401 3/20 0.37
NR3C2 P08235 2/20 0.37
NR3C1 P04150 1/20 0.37
PARP1 P09874 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
DRD4 P21917 2/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL17875671 0.83 PDE3B (0.43) PDE3BPDE3AIL4I1MMP12AHR
SCHEMBL4678142 0.80 PDE3B (0.41) PDE3BPDE3AMMP12PGRNR3C2
SCHEMBL21552373 0.80 PGR (0.45) PDE3BPDE3AIL4I1MMP12AHR
SCHEMBL30330297 0.80 PDE3B (0.41) PDE3BPDE3AIL4I1MMP12PGR
SCHEMBL3174255 0.80 IL4I1 (0.38) PDE3BPDE3AIL4I1MMP12AHR
SCHEMBL25166226 0.80 PDE3B (0.41) PDE3BPDE3AIL4I1MMP12PGR
SCHEMBL8082246 0.80 PGR (0.46) PDE3BPDE3AIL4I1MMP12PGR
SCHEMBL4291156 0.78 ALDH1A1 (0.44) PDE3BPDE3AMMP12NR3C2ALDH1A1
SCHEMBL4290482 0.78 IL4I1 (0.44) PDE3BPDE3AIL4I1MMP12AHR
SCHEMBL4673975 0.78 PKM (0.43) PDE3BPDE3AMMP12NR3C2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US disclosed
US-20050130962-A1 Benzoxazine derivatives and uses thereof BERGER JACOB (US) 2005-06-16 US disclosed
US-6867204-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-03-15 US disclosed
US-20030232825-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-18 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 (4 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-20090325950-A1 Benzoxazine derivatives and uses thereof F12, CYP4X1, CYP3A5 PDE3B 861/4885PDE3A 967/4885IL4I1 774/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 PDE3B 1011/4885PDE3A 1120/4885IL4I1 870/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH PDE3B 1031/4885PDE3A 907/4885IL4I1 560/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 PDE3B 861/4885PDE3A 967/4885IL4I1 774/4885

“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.