SCHEMBL5477000

SCHEMBL5477000

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

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.84
ADORA3 P0DMS8 1/20 0.84
PDE5A O76074 10/20 0.56
GUCY1A1 Q02108 8/20 0.52
GUCY1B1 Q02153 8/20 0.52

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
Riociguat SCHEMBL29357210 0.92 KCNH2 (1.00) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
Riociguat SCHEMBL29419573 0.92 KCNH2 (1.00) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
Riociguat SCHEMBL245457 0.92 KCNH2 (1.00) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
Riociguat SCHEMBL29379983 0.92 KCNH2 (1.00) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
SCHEMBL12593410 0.91 KCNH2 (0.86) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
SCHEMBL5484675 0.90 ADORA3 (0.68) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
SCHEMBL31037565 0.89 KCNH2 (0.83) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
SCHEMBL5478659 0.89 KCNH2 (0.83) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
SCHEMBL30507540 0.89 ADORA3 (0.82) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1
SCHEMBL174915 0.89 ADORA3 (0.82) KCNH2ADORA3PDE5AGUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492544-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-B]pyridin-3-yl]pyrimidin-5-yl}Methylcarbamate and its purification for use as pharmaceutically active compound BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-23 US disclosed
US-20070225299-A1 Novel Combination Containing a Stimulator of Soluble Guanylate Cyclase and a Lipid-Lowering Substance BAYER HEALTHCARE AG (DE) 2007-09-27 US disclosed
US-20070225299-A1 Novel Combination Containing a Stimulator of Soluble Guanylate Cyclase and a Lipid-Lowering Substance BAYER HEALTHCARE AG (DE) 2007-09-27 US disclosed
US-20070225299-A1 Novel Combination Containing a Stimulator of Soluble Guanylate Cyclase and a Lipid-Lowering Substance BAYER HEALTHCARE AG (DE) 2007-09-27 US disclosed
US-7173037-B2 Carbamate-substituted pyrazolopyridines BAYER HEALTHCARE AG (DE) 2007-02-06 US disclosed
US-7173037-B2 Carbamate-substituted pyrazolopyridines BAYER HEALTHCARE AG (DE) 2007-02-06 US disclosed
US-7173037-B2 Carbamate-substituted pyrazolopyridines BAYER HEALTHCARE AG (DE) 2007-02-06 US disclosed
US-20060052397-A1 Compounds for trearment of cardiovascular disorders and hypotensive agents BAYER HEALTHCARE AG (DE) 2006-03-09 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 (2 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-20070225299-A1 Novel Combination Containing a Stimulator of Soluble Guanylate Cyclase and a Lipid-Lowering Substance GUCY1A2, GUCY1B2, GUCY1B1 KCNH2 2335/4885ADORA3 928/4885PDE5A 9/4885
US-20060052397-A1 Compounds for trearment of cardiovascular disorders and hypotensive agents PDE3A, PDE3B, PDE2A KCNH2 917/4885ADORA3 221/4885PDE5A 4/4885

“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.