SCHEMBL100580

SCHEMBL100580

COc1ccc(Cn2c(=O)c3cc(O)ccc3n(C3CCN(C(C)=O)CC3)c2=O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.60
PDE7B Q9NP56 5/20 0.59
PDE8A O60658 3/20 0.59
ESR1 P03372 2/20 0.40
QDPR P09417 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TNF P01375 1/20 0.39
LITAF Q99732 1/20 0.39
FEN1 P39748 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 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
SCHEMBL14775916 0.93 PDE7A (0.60) PDE7APDE7BPDE8AESR1SIGMAR1
SCHEMBL10322055 0.91 PDE7A (0.60) PDE7APDE7BPDE8ASIGMAR1CYP3A4
SCHEMBL100064 0.90 PDE7A (0.61) PDE7APDE7BPDE8ASIGMAR1CYP3A4
SCHEMBL173169 0.90 PDE7A (0.56) PDE7APDE7BPDE8AESR1SIGMAR1
SCHEMBL99845 0.90 PDE7A (0.62) PDE7APDE7BPDE8AESR1SIGMAR1
Hydrochloric Acid SCHEMBL141195 0.90 PDE7A (0.60) PDE7APDE7BPDE8ASIGMAR1CYP3A4
SCHEMBL100025 0.89 PDE7A (0.56) PDE7APDE7BPDE8ATNFLITAF
SCHEMBL100671 0.88 PDE7A (0.77) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL99714 0.88 PDE7A (0.76) PDE7APDE7BPDE8AESR1SIGMAR1
SCHEMBL7883412 0.87 PDE7A (0.66) PDE7APDE7BPDE8ASIGMAR1TNF

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP claimed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP claimed
US-8846654-B2 Therapeutic applications in the cardiovascular field of quinazolinedione derivatives SANOFI (FR) 2014-09-30 US claimed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP claimed
US-20120184522-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-07-19 US claimed
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 US claimed
EP-2416777-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-15 EP claimed
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 WO claimed
EP-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP disclosed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
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-8846654-B2 Therapeutic applications in the cardiovascular field of quinazolinedione derivatives SANOFI (FR) 2014-09-30 US disclosed
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 WO disclosed
WO-2010109148-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109148-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
EP-2205593-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009077680-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-06-25 WO disclosed
WO-2009077680-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-06-25 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 (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-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.