SCHEMBL463525

SCHEMBL463525

CC(C)N(C(=O)O)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.71
KCNH2 Q12809 1/20 0.71
GUCY1A1 Q02108 13/20 0.55
GUCY1B1 Q02153 13/20 0.55
PDE5A O76074 5/20 0.53

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
SCHEMBL174915 0.89 ADORA3 (0.82) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL30507540 0.89 ADORA3 (0.82) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL18496418 0.88 ADORA3 (0.81) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5765138 0.88 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL17510179 0.88 ADORA3 (0.64) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL173783 0.86 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL460864 0.86 ADORA3 (0.68) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5763523 0.85 ADORA3 (0.70) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL175323 0.85 ADORA3 (0.67) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL460196 0.85 ADORA3 (0.69) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012010577-A1 SUBSTITUTED OXAZOLIDINONES AND OXAZINANONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 WO disclosed
US-7173037-B2 Carbamate-substituted pyrazolopyridines BAYER HEALTHCARE AG (DE) 2007-02-06 US disclosed
EP-1682182-A1 NOVEL COMBINATION CONTAINING A STIMULATOR OF SOLUBLE GUANYLATE CYCLASE AND A LIPID-LOWERING SUBSTANCE Bayer HealthCare AG (DE) 2006-07-26 EP disclosed
EP-1506193-B1 CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINES BAYER HEALTHCARE AG (DE) 2006-06-21 EP disclosed
US-20060052397-A1 Compounds for trearment of cardiovascular disorders and hypotensive agents BAYER HEALTHCARE AG (DE) 2006-03-09 US disclosed
WO-2005046725-A1 NOVEL COMBINATION CONTAINING A STIMULATOR OF SOLUBLE GUANYLATE CYCLASE AND A LIPID-LOWERING SUBSTANCE BAYER HEALTHCARE AG (DE) 2005-05-26 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-20060052397-A1 Compounds for trearment of cardiovascular disorders and hypotensive agents PDE3A, PDE3B, PDE2A ADORA3 221/4885KCNH2 917/4885GUCY1A1 7/4885

“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.