SCHEMBL100025

SCHEMBL100025

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.56
PDE7B Q9NP56 4/20 0.55
PDE8A O60658 2/20 0.55
PDE4B Q07343 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TNF P01375 2/20 0.43
LITAF Q99732 2/20 0.43
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 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
SCHEMBL100135 0.92 PDE7A (0.52) PDE7APDE7BPDE8APDE4BPDE4A
SCHEMBL14775916 0.89 PDE7A (0.60) PDE7APDE7BPDE8ATSHR
SCHEMBL100580 0.89 PDE7A (0.60) PDE7APDE7BPDE8ATNFLITAF
SCHEMBL99965 0.88 PDE7A (0.62) PDE7APDE7BPDE8APIK3CAMTOR
SCHEMBL173169 0.88 PDE7A (0.56) PDE7APDE7BPDE8ATP53USP2
SCHEMBL99845 0.86 PDE7A (0.62) PDE7APDE7BPDE8AHTTTSHR
SCHEMBL173189 0.84 PDE7A (0.57) PDE7APDE7BPDE8ATP53HTT
SCHEMBL99714 0.84 PDE7A (0.76) PDE7APDE7BPDE8ATP53HTT
Hydrochloric Acid SCHEMBL135212 0.84 PDE7A (0.57) PDE7APDE7BPDE8ATP53HTT
SCHEMBL582861 0.83 PDE7A (0.57) PDE7APDE7BPDE8ATSHR

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 16 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-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-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-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-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
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.