SCHEMBL5883648

SCHEMBL5883648

CCc1nc(C23CC4CC(CC(C4)C2)C3)n2nc(-c3ccccc3)[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.42
HSD11B1 P28845 1/20 0.40
KHK P50053 2/20 0.38
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
GUSB P08236 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5729824 0.84 CNR2 (0.36) CNR2SMN1; SMN2ADORA3
SCHEMBL5883506 0.82 PDE5A (0.38) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5884275 0.80 PDE5A (0.43) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5883635 0.80 PDE5A (0.41) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5929371 0.78 PDE5A (0.41) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5883916 0.78 PDE5A (0.44) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5884120 0.77 PDE5A (0.50) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5884419 0.77 PDE5A (0.50) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5883995 0.77 PDE5A (0.49) PDE5AKHKPDE1APDE1BPDE1C
SCHEMBL5884291 0.77 KHK (0.35) PDE5AHSD11B1KHKPDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087605-B2 5-Ethyl-imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
EP-1397363-B1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2005-05-11 EP disclosed
US-20040254187-A1 5-ethyl-imidazotriazinones BAYER HEALTHCARE AG (DE) 2004-12-16 US disclosed
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 EP disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES 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 (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-20040254187-A1 5-ethyl-imidazotriazinones EPX, TPMT, IL5 PDE5A 409/4885HSD11B1 2266/4885KHK 2954/4885

“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.