SCHEMBL6291850

SCHEMBL6291850

COc1ccc(-c2nn3c(C)nc(C)c3c(=O)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53
ATM Q13315 1/20 0.51
TNKS2 Q9H2K2 4/20 0.47
TNKS O95271 3/20 0.47
PARP1 P09874 3/20 0.47
NPC1 O15118 1/20 0.47
GUSB P08236 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HPGD P15428 2/20 0.42
WNT3A P56704 1/20 0.42
ADORA2B P29275 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6291810 0.87 PDE5A (0.50) PDE5APDE1APDE1BPDE1CATM
SCHEMBL6288563 0.85 ATM (0.47) PDE5APDE1APDE1BPDE1CATM
SCHEMBL5619914 0.84 PDE5A (0.52) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL6287006 0.84 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPARP1
SCHEMBL1513983 0.83 PDE5A (0.60) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5916454 0.83 PDE2A (0.56) PDE5APDE1APDE1BPDE1C
SCHEMBL8358527 0.82 PDE5A (0.53) PDE5APDE1APDE1BPDE1CHPGD
SCHEMBL6291389 0.82 PDE5A (0.59) PDE5APDE1APDE1BPDE1CPARP1
SCHEMBL6291791 0.81 PDE5A (0.59) PDE5APDE1APDE1BPDE1CATM
SCHEMBL6288419 0.81 PDE5A (0.56) PDE5APDE1APDE1BPDE1CNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936609-B2 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-08-30 US disclosed
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2004-12-09 US disclosed
EP-1404677-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003000693-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-03 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 (1 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-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A PDE5A 4/4885PDE1A 8/4885PDE1B 12/4885

“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.