SCHEMBL99700

SCHEMBL99700

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

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.79
PDE7B Q9NP56 5/20 0.79
PDE8A O60658 3/20 0.59
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASR P41180 1/20 0.36
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
PDE1B Q01064 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL16229880 0.95 PDE7A (0.72) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL7883412 0.90 PDE7A (0.66) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100526 0.88 PDE7A (0.64) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837824 0.88 PDE7A (0.80) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL99715 0.88 PDE7A (0.80) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL99689 0.88 PDE7A (0.80) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL100515 0.88 PDE7A (0.66) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL581681 0.87 PDE7A (0.79) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL2681821 0.87 PDE7A (0.82) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL139609 0.87 PDE7A (0.82) PDE7APDE7BPDE8AMEN1KMT2A

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 38 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-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-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-11-25 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
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 (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.