SCHEMBL136390

SCHEMBL136390

COc1ccc(Cn2c(=O)c3cc(CNC(=O)OC(C)(C)C)ccc3n(C3CCN(C(=O)OCc4ccccc4)CC3)c2=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.59
PDE7B Q9NP56 4/20 0.51
PDE8A O60658 2/20 0.51
PDE4B Q07343 2/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL132935 0.91 PDE7A (0.70) PDE7APDE7BPDE8APDE4BACHE
SCHEMBL474225 0.90 PDE7A (0.62) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL7883425 0.89 PDE7A (0.61) PDE7APDE7BPDE8APDE4BACHE
SCHEMBL100688 0.86 PDE7A (0.56) PDE7APDE7BPDE8APDE4BTSHR
SCHEMBL99965 0.84 PDE7A (0.62) PDE7APDE7BPDE8ATSHRNPC1
SCHEMBL100025 0.82 PDE7A (0.56) PDE7APDE7BPDE8APDE4BTSHR
SCHEMBL14782104 0.81 PDE7A (0.65) PDE7APDE7BPDE8ANPC1RAB9A
SCHEMBL585427 0.80 PDE7A (0.76) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL100671 0.80 PDE7A (0.77) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL16229882 0.79 PDE7A (0.65) PDE7APDE7BPDE8AACHEBACE1

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 13 patents. 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 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-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
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP 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.