SCHEMBL5884437

SCHEMBL5884437

CCc1nc(C2=CC=C2)n2nc(-c3ccc(C)cc3)[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.37
TNKS2 Q9H2K2 5/20 0.37
PARP1 P09874 4/20 0.37
PDE5A O76074 4/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 2/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
KHK P50053 1/20 0.34

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
SCHEMBL5883909 0.91 TNKS (0.37) TNKSTNKS2PARP1PDE5APDE2A
SCHEMBL5884367 0.91 PDE5A (0.45) TNKSTNKS2PARP1PDE5APDE1A
SCHEMBL5859643 0.88 ADORA2B (0.39) TNKSTNKS2PARP1PDE5ARAB9A
SCHEMBL5729050 0.85 ALDH1A1 (0.38) TNKS2PDE5ASMN1; SMN2PDE1APDE1B
SCHEMBL5884299 0.83 PIN1 (0.37) PDE5APDE2A
SCHEMBL5884374 0.83 NPC1 (0.37) PARP1PDE5ARAB9ASMN1; SMN2PDE1A
SCHEMBL5883954 0.83 MEN1 (0.38) PDE5APDE1APDE1BPDE1C
SCHEMBL5883866 0.80 PDE5A (0.41) TNKS2PDE5APDE1APDE1BPDE1C
SCHEMBL5731169 0.78 ADORA2A (0.37) PDE5APDE1APDE1BPDE1C
SCHEMBL5884419 0.78 PDE5A (0.50) TNKSTNKS2PARP1PDE5APDE1A

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 TNKS 1300/4885TNKS2 1927/4885PARP1 2116/4885

“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.