SCHEMBL100077

SCHEMBL100077

COc1cc(Cn2c(=O)c3cc(OCC(F)F)ccc3n(C3CCN(C=O)CC3)c2=O)ccc1OCCO

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.87
PDE7B Q9NP56 5/20 0.68
PDE8A O60658 3/20 0.68
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ESR1 P03372 2/20 0.34
TP53 P04637 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL139050 0.97 PDE7A (0.87) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL30837786 0.94 PDE7A (0.86) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL100081 0.94 PDE7A (0.86) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL100079 0.94 PDE7A (0.89) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL30837886 0.93 PDE7A (1.00) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL100608 0.93 PDE7A (1.00) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL100956 0.92 PDE7A (0.91) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL100080 0.91 PDE7A (0.95) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL100698 0.91 PDE7A (1.00) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL30837972 0.91 PDE7A (1.00) PDE7APDE7BPDE8AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846654-B2 Therapeutic applications in the cardiovascular field of quinazolinedione derivatives SANOFI (FR) 2014-09-30 US disclosed
US-8846654-B2 Therapeutic applications in the cardiovascular field of quinazolinedione derivatives SANOFI (FR) 2014-09-30 US disclosed
US-8748441-B2 Therapeutic uses of quinazolinedione derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748441-B2 Therapeutic uses of quinazolinedione derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8242126-B2 Quinazolinedione derivatives, preparation thereof and therapeutic uses thereof SANOFI (FR) 2012-08-14 US disclosed
US-8242126-B2 Quinazolinedione derivatives, preparation thereof and therapeutic uses thereof SANOFI (FR) 2012-08-14 US disclosed
US-20120184522-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-07-19 US disclosed
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 US disclosed
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 US disclosed
US-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
US-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-11-25 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 (3 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-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF PPARD, DPP4, NDUFB7 PDE7A 941/4885PDE7B 1077/4885PDE8A 2165/4885
US-20120184522-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES FABP3, SLC5A1, SLC5A2 PDE7A 1769/4885PDE7B 937/4885PDE8A 2886/4885
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SLC5A2, SLC5A1, PPARD PDE7A 1520/4885PDE7B 1364/4885PDE8A 2069/4885

“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.