SCHEMBL5845866

SCHEMBL5845866

CCc1nc(C2CCC(C(C)(C)C)CC2)n2nc(-c3ccccc3)[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.44
PDE1A P54750 4/20 0.44
PDE1B Q01064 4/20 0.44
PDE1C Q14123 4/20 0.44
KHK P50053 6/20 0.37
KMT2A Q03164 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TNKS O95271 2/20 0.33
PARP1 P09874 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5845859 1.00 PDE5A (0.44) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5883995 0.93 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5883562 0.91 PDE5A (0.44) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5728930 0.91 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5847439 0.91 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5728934 0.91 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5859606 0.90 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5860641 0.90 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5859600 0.90 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5860610 0.90 PDE5A (0.41) PDE5APDE1APDE1BPDE1CKHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2685983-B1 NOVEL USE OF IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2016-05-18 EP claimed
US-20140038967-A1 NOVEL USE FOR IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2014-02-06 US claimed
EP-2685983-A1 NOVEL USE OF IMIDAZOTRIAZINONES Algiax Pharmaceuticals GmbH (DE) 2014-01-22 EP claimed
WO-2012123406-A1 NOVEL USE OF IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2012-09-20 WO claimed
US-7115602-B2 Heterocycles 3 BAYER AKTIENGESELLSCHAFT (DE) 2006-10-03 US claimed
US-20050065153-A1 Novel heterocycles 3 BAYER AKTIENGESELLSCHAFT (DE) 2005-03-24 US claimed
US-20170119775-A1 TREATMENT OF COGNITIVE DISORDERS ALGIAX PHARMACEUTICALS GMBH (DE) 2017-05-04 US disclosed
US-20170119775-A1 TREATMENT OF COGNITIVE DISORDERS ALGIAX PHARMACEUTICALS GMBH (DE) 2017-05-04 US disclosed
US-20170119775-A1 TREATMENT OF COGNITIVE DISORDERS ALGIAX PHARMACEUTICALS GMBH (DE) 2017-05-04 US disclosed
EP-3125900-A1 TREATMENT OF COGNITIVE DISORDERS Algiax Pharmaceuticals GmbH (DE) 2017-02-08 EP disclosed
EP-2685983-B1 NOVEL USE OF IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2016-05-18 EP disclosed
EP-2685983-B1 NOVEL USE OF IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2016-05-18 EP disclosed
US-20160022688-A1 NOVEL USE FOR IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2016-01-28 US disclosed
WO-2012125951-A1 CELLULASE COMPOSITIONS AND METHODS OF USING THE SAME FOR IMPROVED CONVERSION OF LIGNOCELLULOSIC BIOMASS INTO FERMENTABLE SUGARS DANISCO US INC (US) 2012-09-20 WO disclosed
WO-2012123406-A1 NOVEL USE OF IMIDAZOTRIAZINONES ALGIAX PHARMACEUTICALS GMBH (DE) 2012-09-20 WO disclosed
US-7115602-B2 Heterocycles 3 BAYER AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20050065153-A1 Novel heterocycles 3 BAYER AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
EP-1399447-A1 IMIDAZOTRIAZINONES DERIVATIVES AND THEIR USE AGAINST INFLAMMATORY PROCESSES AND/OR IMMUNE DISEASES Bayer HealthCare AG (DE) 2004-03-24 EP disclosed
US-20030139415-A1 Novel heterocycles 3 BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
WO-2002098879-A1 IMIDAZOTRIAZINONES DERIVATIVES AND THEIR USE AGAINST INFLAMMATORY PROCESSES AND/OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2002-12-12 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 (5 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-20030139415-A1 Novel heterocycles 3 NFATC1, NOD2, NFKBIA PDE5A 1993/4885PDE1A 3380/4885PDE1B 3869/4885
US-20140038967-A1 NOVEL USE FOR IMIDAZOTRIAZINONES ATP6V1B2, INA, CAMK2B PDE5A 764/4885PDE1A 35/4885PDE1B 39/4885
US-20170119775-A1 TREATMENT OF COGNITIVE DISORDERS SLC18A2, SLC18A3, SLC6A3 PDE5A 856/4885PDE1A 276/4885PDE1B 282/4885
US-20160022688-A1 NOVEL USE FOR IMIDAZOTRIAZINONES ATP6V1B2, INA, PMP22 PDE5A 657/4885PDE1A 39/4885PDE1B 48/4885
US-20050065153-A1 Novel heterocycles 3 NFATC1, NOD2, NFKBIA PDE5A 1993/4885PDE1A 3380/4885PDE1B 3869/4885

“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.