SCHEMBL6288417

SCHEMBL6288417

COc1ccc(-c2nn3c(C4CCCC4)nc(C)c3c(=O)[nH]2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.55
PDE1A P54750 3/20 0.55
PDE1B Q01064 3/20 0.55
PDE1C Q14123 3/20 0.55
BRD4 O60885 2/20 0.52
BRD2 P25440 2/20 0.52
BRD3 Q15059 2/20 0.52
KMT2A Q03164 1/20 0.44
PI4KB Q9UBF8 2/20 0.42
PI4KA P42356 1/20 0.42
SYK P43405 2/20 0.42
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL6288624 0.91 PDE5A (0.58) PDE5APDE1APDE1BPDE1CBRD4
SCHEMBL6291835 0.83 PDE5A (0.59) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6288422 0.79 BRD4 (0.47) PDE5APDE1APDE1BPDE1CBRD4
SCHEMBL6288397 0.79 BRD4 (0.47) BRD4BRD2BRD3KMT2API4KB
SCHEMBL6291791 0.77 PDE5A (0.59) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL6291403 0.77 PDE5A (0.55) PDE5APDE1APDE1BPDE1CBRD4
Oxirane SCHEMBL7601429 0.76 PDE5A (0.64) PDE5APDE1APDE1BPDE1CBRD4
SCHEMBL5901825 0.75 PDE5A (0.65) PDE5APDE1APDE1BPDE1C
SCHEMBL6291382 0.73 ALDH1A1 (0.45) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6286872 0.72 BRD4 (0.43) PDE5ABRD4BRD2BRD3KMT2A

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 2 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

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.