SCHEMBL6288419

SCHEMBL6288419

Cc1nc(C)n2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.56
PDE1A P54750 2/20 0.56
PDE1B Q01064 2/20 0.56
PDE1C Q14123 2/20 0.56
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PRMT5 O14744 10/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
XDH P47989 1/20 0.45
DHODH Q02127 2/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1513983 0.83 PDE5A (0.60) PDE5APDE1APDE1BPDE1CL3MBTL1
SCHEMBL6291850 0.81 PDE5A (0.53) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL6288549 0.78 PDE5A (0.54) PDE5APDE1APDE1BPDE1CRAB9A
SCHEMBL5619914 0.76 PDE5A (0.52) PDE5APDE1APDE1BPDE1C
SCHEMBL8358527 0.75 PDE5A (0.53) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL8358661 0.74 PDE5A (0.53) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL5916399 0.72 PDE5A (0.51) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL5619043 0.72 TNKS (0.49) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL972561 0.72 PDE5A (1.00) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL6287006 0.71 PDE5A (0.53) PDE5APDE1APDE1BPDE1CALDH1A1

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.