SCHEMBL5884367

SCHEMBL5884367

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.45
POLB P06746 2/20 0.39
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
KHK P50053 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PDE3B Q13370 1/20 0.35

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
SCHEMBL5884437 0.91 TNKS (0.37) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5883909 0.89 TNKS (0.37) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5859643 0.88 ADORA2B (0.39) PDE5AKDM4EALDH1A1USP2TSHR
SCHEMBL5884419 0.88 PDE5A (0.50) PDE5APOLBPDE1APDE1BPDE1C
SCHEMBL5884299 0.87 PIN1 (0.37) PDE5APOLBALDH1A1
SCHEMBL5884374 0.87 NPC1 (0.37) PDE5APOLBPDE1APDE1BPDE1C
SCHEMBL5883954 0.87 MEN1 (0.38) PDE5APDE1APDE1BPDE1C
SCHEMBL5731487 0.86 MAPT (0.40) PDE5AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5729050 0.85 ALDH1A1 (0.38) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5883866 0.84 PDE5A (0.41) PDE5APDE1APDE1BPDE1CKDM4E

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 409/4885POLB 4425/4885PDE1A 860/4885

“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.